4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(2-oxidanylpropylamino)butanoic acid

Systemtic Name: 4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(2-oxidanylpropylamino)butanoic acid Openeye Name: 2-(2-hydroxypropylamino)-4-(2-nitroanilino)-4-oxo-butanoic acid CAS Name: 2-(2-hydroxypropylamino)-4-(2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(2-hydroxypropylamino)-4-(2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-hydroxypropylamino)-4-keto-4-(2-nitroanilino)butyric acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6/c1-8(17)7-14-10(13(19)20)6-12(18)15-9-4-2-3-5-11(9)16(21)22/h2-5,8,10,14,17H,6-7H2,1H3,(H,15,18)(H,19,20)