[4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(1-naphthylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-(1-naphthalenylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(naphthalen-1-ylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(1-naphthylamino)prop-1-enyl]phenyl] ester Formula: C28H20N2O3 MolecularWeight: 432.47

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H20N2O3/c1-19-9-13-22(14-10-19)28(32)33-24-15-11-20(12-16-24)17-23(18-29)27(31)30-26-8-4-6-21-5-2-3-7-25(21)26/h2-17H,1H3,(H,30,31)/b23-17+