4-[(2-bromophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: 4-[(2-bromophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)azaniumyl]butanoate Openeye Name: 3-(benzylammonio)-4-(2-bromoanilino)-4-oxo-butanoate CAS Name: 4-(2-bromoanilino)-4-oxo-3-[(phenylmethyl)ammonio]butanoate IUPAC Name: 3-(benzylazaniumyl)-4-(2-bromoanilino)-4-oxobutanoate Traditional Name: 3-(benzylammonio)-4-(2-bromoanilino)-4-keto-butyrate Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)NC2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C(CC(=O)[O-])C(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C17H17BrN2O3/c18-13-8-4-5-9-14(13)20-17(23)15(10-16(21)22)19-11-12-6-2-1-3-7-12/h1-9,15,19H,10-11H2,(H,20,23)(H,21,22)