Chemical Components in the PDB

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E8Z : Summary

Code

E8Z

One-letter code

X

Molecule name

~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide

Formula

C18 H15 N O3

Formal charge

0

Molecular weight

293.317 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C
SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O
Canonical SMILES CACTVS 3.385 Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O

IUPAC InChI

InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)

IUPAC InChI key

WDCZOLPCRVTBPH-UHFFFAOYSA-N
E8Z

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-05

Last modified at

2018-04-20

Status

Released

Obsoleted

Not Assigned