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

Systemtic Name: propyl 3-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: propyl 3-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 3-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 3-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoic acid propyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-3-7-28-18(23)12-5-4-6-14(8-12)19-17(22)13-9-15(20(24)25)11(2)16(10-13)21(26)27/h4-6,8-10H,3,7H2,1-2H3,(H,19,22)