[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H13BrN4O6 MolecularWeight: 461.22302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Br

InChI

InChI=1S/C18H13BrN4O6/c19-13-3-1-11(2-4-13)18(26)21-9-17(25)29-10-16(24)22-15-6-5-14(23(27)28)7-12(15)8-20/h1-7H,9-10H2,(H,21,26)(H,22,24)