4-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-methyl-5-nitro-phenyl)-3-nitro-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-14-6-8-16(23(26)27)13-17(14)21-20(25)15-7-9-18(19(12-15)24(28)29)22-10-4-2-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3,(H,21,25)