4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-benzamide

Systemtic Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-benzamide Openeye Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitro-benzamide CAS Name: 4-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-3-nitrobenzamide IUPAC Name: 4-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-nitrobenzamide Traditional Name: 4-[[3-(isobutyrylamino)benzyl]amino]-3-nitro-benzamide Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-11(2)18(24)21-14-5-3-4-12(8-14)10-20-15-7-6-13(17(19)23)9-16(15)22(25)26/h3-9,11,20H,10H2,1-2H3,(H2,19,23)(H,21,24)