N-[(2-chloranyl-4-methoxy-phenyl)methyl]-2-(cyclopentylamino)-5-nitro-benzamide

Systemtic Name: N-[(2-chloranyl-4-methoxy-phenyl)methyl]-2-(cyclopentylamino)-5-nitro-benzamide Openeye Name: N-[(2-chloro-4-methoxy-phenyl)methyl]-2-(cyclopentylamino)-5-nitro-benzamide CAS Name: N-[(2-chloro-4-methoxyphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide IUPAC Name: N-[(2-chloro-4-methoxyphenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide Traditional Name: N-(2-chloro-4-methoxy-benzyl)-2-(cyclopentylamino)-5-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-28-16-8-6-13(18(21)11-16)12-22-20(25)17-10-15(24(26)27)7-9-19(17)23-14-4-2-3-5-14/h6-11,14,23H,2-5,12H2,1H3,(H,22,25)