4-[4-(2-methylpropanoylamino)-3-nitro-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2-methylpropanoylamino)-3-nitro-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-methylpropanoylamino)-3-nitro-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[(2-methyl-1-oxopropyl)amino]-3-nitrophenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2-methylpropanoylamino)-3-nitrophenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(isobutyrylamino)-3-nitro-phenyl]-4-keto-butyric acid Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c1-8(2)14(20)15-10-4-3-9(7-11(10)16(21)22)12(17)5-6-13(18)19/h3-4,7-8H,5-6H2,1-2H3,(H,15,20)(H,18,19)