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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O7/c1-8(18)7-15-11(14(20)21)6-13(19)16-10-4-3-9(17(22)23)5-12(10)24-2/h3-5,8,11,15,18H,6-7H2,1-2H3,(H,16,19)(H,20,21)