4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(3-hydroxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(3-hydroxypropylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(3-hydroxypropylamino)-4-keto-butyric acid Formula: C13H16ClN3O6 MolecularWeight: 345.73564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O6/c14-9-3-2-8(17(22)23)6-10(9)16-12(19)7-11(13(20)21)15-4-1-5-18/h2-3,6,11,15,18H,1,4-5,7H2,(H,16,19)(H,20,21)