[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18BrN3O6 MolecularWeight: 464.26672

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18BrN3O6/c1-12(21-19(26)13-5-3-2-4-6-13)9-18(25)29-11-17(24)22-16-8-7-14(23(27)28)10-15(16)20/h2-8,10,12H,9,11H2,1H3,(H,21,26)(H,22,24)