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

Systemtic Name: methyl 3-[[(2-methylphenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(2-methylbenzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(2-methylphenyl)-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(2-methylbenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(o-toluoylamino)carbamoyl]benzoic acid methyl ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15N3O6/c1-10-5-3-4-6-14(10)16(22)19-18-15(21)11-7-12(17(23)26-2)9-13(8-11)20(24)25/h3-9H,1-2H3,(H,18,21)(H,19,22)