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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3/c1-12-3-2-4-14(9-12)18(22)23-16-7-5-13(6-8-16)10-15(11-19)17(20)21/h2-10H,1H3,(H2,20,21)/b15-10+