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

Systemtic Name: propyl 4-[(2-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: propyl 4-[(2-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 4-[[(2-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(2-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=C(C=C1)NC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-]

InChI

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