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

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]phenyl] 3-chloranylbenzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic 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-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]phenyl] ester Formula: C17H11ClN2O3 MolecularWeight: 326.73384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O3/c18-14-3-1-2-12(9-14)17(22)23-15-6-4-11(5-7-15)8-13(10-19)16(20)21/h1-9H,(H2,20,21)/b13-8+