2-(2-hydroxyethylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-hydroxyethylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-hydroxyethylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(2-hydroxyethylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(2-hydroxyethylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-hydroxyethylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCO)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCO)[N+](=O)[O-]

InChI

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