methyl 4-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 4-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoic acid methyl ester Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c1-9-13(7-12(18(22)23)8-14(9)19(24)25)15(20)17-11-5-3-10(4-6-11)16(21)26-2/h3-8H,1-2H3,(H,17,20)