[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C16H12BrN3O6 MolecularWeight: 422.18698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrN3O6/c17-12-6-3-10(7-13(12)20(24)25)16(23)26-8-14(21)19-11-4-1-9(2-5-11)15(18)22/h1-7H,8H2,(H2,18,22)(H,19,21)