5-(4-methyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-2-nitro-benzamide

Systemtic Name: 5-(4-methyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-2-nitro-benzamide Openeye Name: 5-(4-methyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-2-nitro-benzamide CAS Name: 5-(4-methyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide IUPAC Name: 5-(4-methyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide Traditional Name: 5-(4-methyl-1,4-diazepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-2-nitro-benzamide Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)N3CCCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)N3CCCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O5/c1-14-4-5-16(24(27)28)13-18(14)21-20(26)17-12-15(6-7-19(17)25(29)30)23-9-3-8-22(2)10-11-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,26)