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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylamino)butanoic acid Openeye Name: 2-(3-hydroxypropylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(3-hydroxypropylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(3-hydroxypropylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(3-hydroxypropylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C14H19N3O7 MolecularWeight: 341.31656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O7/c1-24-12-4-3-9(17(22)23)7-10(12)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)