methyl 3-[[(4-bromophenyl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(4-bromophenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(4-bromobenzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(4-bromophenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(4-bromobenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-bromobenzoyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H12BrN3O6 MolecularWeight: 422.18698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O6/c1-26-16(23)11-6-10(7-13(8-11)20(24)25)15(22)19-18-14(21)9-2-4-12(17)5-3-9/h2-8H,1H3,(H,18,21)(H,19,22)