3-methyl-2-[[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(4-nitroanilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(4-nitroanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(4-nitroanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-(4-nitroanilino)ethyl]amino]-3-methyl-butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-8(2)12(13(18)19)14-7-11(17)15-9-3-5-10(6-4-9)16(20)21/h3-6,8,12,14H,7H2,1-2H3,(H,15,17)(H,18,19)