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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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