[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] (E)-2-cyano-3-phenyl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] (E)-2-cyano-3-phenyl-prop-2-enoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] (E)-2-cyano-3-phenyl-prop-2-enoate CAS Name: (E)-2-cyano-3-phenyl-2-propenoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-2-cyano-3-phenylprop-2-enoate Traditional Name: (E)-2-cyano-3-phenyl-acrylic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C27H18N2O5 MolecularWeight: 450.44222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)C(=CC4=CC=CC=C4)C#N)OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)OC(=O)/C(=C/C4=CC=CC=C4)/C#N)OC2=O

InChI

InChI=1S/C27H18N2O5/c28-16-21(13-18-7-3-1-4-8-18)26(31)33-22-12-11-20-14-23(27(32)34-24(20)15-22)25(30)29-17-19-9-5-2-6-10-19/h1-15H,17H2,(H,29,30)/b21-13+