2-azanyl-3-methyl-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]butanamide; ethanoic acid

Systemtic Name: 2-azanyl-3-methyl-N-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]butanamide; ethanoic acid Openeye Name: acetic acid; 2-amino-3-methyl-N-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]butanamide CAS Name: acetic acid; 2-amino-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide IUPAC Name: acetic acid; 2-amino-3-methyl-N-[1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide Traditional Name: acetic acid; 2-amino-N-[2-keto-1-methyl-2-(4-nitroanilino)ethyl]-3-methyl-butyramide Formula: C16H24N4O6 MolecularWeight: 368.38496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4.C2H4O2/c1-8(2)12(15)14(20)16-9(3)13(19)17-10-4-6-11(7-5-10)18(21)22;1-2(3)4/h4-9,12H,15H2,1-3H3,(H,16,20)(H,17,19);1H3,(H,3,4)