(4-methyl-3-nitro-phenyl)-[4-(4-methyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(4-methyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(4-methyl-3-nitro-benzoyl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(4-methyl-3-nitrobenzoyl)-1,4-diazepan-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(4-methyl-3-nitro-benzoyl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-14-4-6-16(12-18(14)24(28)29)20(26)22-8-3-9-23(11-10-22)21(27)17-7-5-15(2)19(13-17)25(30)31/h4-7,12-13H,3,8-11H2,1-2H3