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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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