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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid Openeye Name: 2-(3-hydroxypropylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(3-hydroxypropylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(3-hydroxypropylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(3-hydroxypropylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-9-3-4-10(12(7-9)17(22)23)16-13(19)8-11(14(20)21)15-5-2-6-18/h3-4,7,11,15,18H,2,5-6,8H2,1H3,(H,16,19)(H,20,21)