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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H20N2O6 MolecularWeight: 480.4682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C28H20N2O6/c1-34-25-14-19(13-21(16-29)26(31)30-17-18-7-3-2-4-8-18)11-12-24(25)36-28(33)22-15-20-9-5-6-10-23(20)35-27(22)32/h2-15H,17H2,1H3,(H,30,31)