N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-2-nitro-benzamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-2-nitro-benzamide Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-12(2)11-17(22)19-13-7-9-14(10-8-13)20-18(23)15-5-3-4-6-16(15)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,23)