4-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[cyclopropyl-[(4-isopropylphenyl)methyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[cyclopropyl-(4-isopropylbenzyl)amino]methyl]-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C21H25N3O3/c1-14(2)16-5-3-15(4-6-16)12-23(19-9-10-19)13-18-8-7-17(21(22)25)11-20(18)24(26)27/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H2,22,25)