4-(azepan-1-yl)-N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2-chloroanilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClN4O4/c1-25(15-21(28)24-18-9-5-4-8-17(18)23)22(29)16-10-11-19(20(14-16)27(30)31)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)