[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-(3-amino-2-cyano-3-keto-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C21H14N2O6 MolecularWeight: 390.34566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H14N2O6/c1-27-18-9-12(8-14(11-22)19(23)24)6-7-17(18)29-21(26)15-10-13-4-2-3-5-16(13)28-20(15)25/h2-10H,1H3,(H2,23,24)