4-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C17H10BrN2O3- MolecularWeight: 370.1769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)[O-])/C#N

InChI

InChI=1S/C17H11BrN2O3/c18-14-2-1-3-15(9-14)20-16(21)13(10-19)8-11-4-6-12(7-5-11)17(22)23/h1-9H,(H,20,21)(H,22,23)/p-1/b13-8+