4-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[4-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-(isobutyrylamino)benzyl]-3-nitro-benzamide Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c1-11(2)17(23)21-14-6-3-12(4-7-14)10-20-18(24)13-5-8-15(19)16(9-13)22(25)26/h3-9,11H,10H2,1-2H3,(H,20,24)(H,21,23)