N-[(4-acetamidophenyl)methyl]-2-(cyclopentylamino)-5-nitro-benzamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(cyclopentylamino)-5-nitro-benzamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(cyclopentylamino)-5-nitro-benzamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(cyclopentylamino)-5-nitrobenzamide Traditional Name: N-(4-acetamidobenzyl)-2-(cyclopentylamino)-5-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C21H24N4O4/c1-14(26)23-17-8-6-15(7-9-17)13-22-21(27)19-12-18(25(28)29)10-11-20(19)24-16-4-2-3-5-16/h6-12,16,24H,2-5,13H2,1H3,(H,22,27)(H,23,26)