methyl 3-[[(2-bromophenyl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(2-bromophenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(2-bromobenzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(2-bromophenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(2-bromobenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(2-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=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

InChI

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