(2-methyl-3-nitro-phenyl)-[4-(2-methyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-(2-methyl-3-nitro-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-(2-methyl-3-nitro-benzoyl)-1,4-diazepan-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(2-methyl-3-nitrobenzoyl)-1,4-diazepan-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(2-methyl-3-nitro-benzoyl)-1,4-diazepan-1-yl]-(2-methyl-3-nitro-phenyl)methanone Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6/c1-14-16(6-3-8-18(14)24(28)29)20(26)22-10-5-11-23(13-12-22)21(27)17-7-4-9-19(15(17)2)25(30)31/h3-4,6-9H,5,10-13H2,1-2H3