4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(2-hydroxyethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(2-hydroxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(2-hydroxyethylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(2-hydroxyethylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(2-hydroxyethylamino)-4-keto-butyric acid Formula: C12H14ClN3O6 MolecularWeight: 331.70906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O6/c13-8-2-1-7(16(21)22)5-9(8)15-11(18)6-10(12(19)20)14-3-4-17/h1-2,5,10,14,17H,3-4,6H2,(H,15,18)(H,19,20)