[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 6-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 6-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 6-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-methoxy-2-oxo-1-benzopyran-3-carboxylic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 6-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methoxy-chromene-3-carboxylic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=C(C=C(C=C3)C=C(C#N)C(=O)N)OC

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=C(C=C(C=C3)/C=C(\C#N)/C(=O)N)OC

InChI

InChI=1S/C22H16N2O7/c1-28-15-4-6-17-13(9-15)10-16(21(26)30-17)22(27)31-18-5-3-12(8-19(18)29-2)7-14(11-23)20(24)25/h3-10H,1-2H3,(H2,24,25)/b14-7+