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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(2-oxidanylpropylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(2-hydroxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(2-hydroxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(2-hydroxypropylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(2-hydroxypropylamino)-4-keto-butyric acid Formula: C13H16ClN3O6 MolecularWeight: 345.73564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O6/c1-7(18)6-15-11(13(20)21)5-12(19)16-10-4-8(17(22)23)2-3-9(10)14/h2-4,7,11,15,18H,5-6H2,1H3,(H,16,19)(H,20,21)