N-[1-[[4-(3-methylbutanoylamino)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[[4-(3-methylbutanoylamino)phenyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[4-(3-methylbutanoylamino)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[1-[4-[(3-methyl-1-oxobutyl)amino]anilino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(3-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-[4-(isovalerylamino)anilino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-13(2)11-19(26)23-16-7-9-17(10-8-16)24-20(27)14(3)22-21(28)15-5-4-6-18(12-15)25(29)30/h4-10,12-14H,11H2,1-3H3,(H,22,28)(H,23,26)(H,24,27)