N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-(4-nitroanilino)butanamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-4-(4-nitroanilino)butyramide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-15(2)21(27)24-18-6-3-5-16(13-18)14-23-20(26)7-4-12-22-17-8-10-19(11-9-17)25(28)29/h3,5-6,8-11,13,15,22H,4,7,12,14H2,1-2H3,(H,23,26)(H,24,27)