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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4-nitro-benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-4-nitro-benzamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4-nitrobenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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