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

Systemtic Name: 2-(2-hydroxyethylamino)-4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(2-hydroxyethylamino)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(2-hydroxyethylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(2-hydroxyethylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(2-hydroxyethylamino)-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C13H17N3O7 MolecularWeight: 327.28998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCO

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCO

InChI

InChI=1S/C13H17N3O7/c1-23-11-6-8(16(21)22)2-3-9(11)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)