methyl (Z)-3-[(3-bromophenyl)amino]-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate

Systemtic Name: methyl (Z)-3-[(3-bromophenyl)amino]-4-oxidanylidene-4-[(phenylmethyl)amino]but-2-enoate Openeye Name: methyl (Z)-4-(benzylamino)-3-(3-bromoanilino)-4-oxo-but-2-enoate CAS Name: (Z)-3-(3-bromoanilino)-4-oxo-4-[(phenylmethyl)amino]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(benzylamino)-3-(3-bromoanilino)-4-oxobut-2-enoate Traditional Name: (Z)-4-(benzylamino)-3-(3-bromoanilino)-4-keto-but-2-enoic acid methyl ester Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)NCC1=CC=CC=C1)NC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)/C=C(/C(=O)NCC1=CC=CC=C1)\NC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H17BrN2O3/c1-24-17(22)11-16(21-15-9-5-8-14(19)10-15)18(23)20-12-13-6-3-2-4-7-13/h2-11,21H,12H2,1H3,(H,20,23)/b16-11-