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

Systemtic Name: propan-2-yl 4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: isopropyl 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 4-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoic acid isopropyl ester Formula: C18H17N3O7 MolecularWeight: 387.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C)[N+](=O)[O-]

InChI

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