4-(azepan-1-yl)-N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)Cl)OC)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O5/c1-26(15-22(29)25-18-14-17(24)8-10-21(18)33-2)23(30)16-7-9-19(20(13-16)28(31)32)27-11-5-3-4-6-12-27/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,25,29)