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

Systemtic Name: cyclohexyl 4-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]benzoate Openeye Name: cyclohexyl 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoate CAS Name: 4-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate Traditional Name: 4-[(4-methyl-3,5-dinitro-benzoyl)amino]benzoic acid cyclohexyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-13-18(23(27)28)11-15(12-19(13)24(29)30)20(25)22-16-9-7-14(8-10-16)21(26)31-17-5-3-2-4-6-17/h7-12,17H,2-6H2,1H3,(H,22,25)