4-[[4-(3-methylbutanoylamino)phenyl]amino]-3-nitro-benzamide

Systemtic Name: 4-[[4-(3-methylbutanoylamino)phenyl]amino]-3-nitro-benzamide Openeye Name: 4-[4-(3-methylbutanoylamino)anilino]-3-nitro-benzamide CAS Name: 4-[4-[(3-methyl-1-oxobutyl)amino]anilino]-3-nitrobenzamide IUPAC Name: 4-[4-(3-methylbutanoylamino)anilino]-3-nitrobenzamide Traditional Name: 4-[4-(isovalerylamino)anilino]-3-nitro-benzamide Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

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