[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C17H15BrN4O6 MolecularWeight: 451.2282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)Br

InChI

InChI=1S/C17H15BrN4O6/c18-12-3-1-2-4-14(12)21-15(23)8-20-16(24)9-28-17(25)11-7-10(22(26)27)5-6-13(11)19/h1-7H,8-9,19H2,(H,20,24)(H,21,23)