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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(propylamino)butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-4-oxo-2-(propylamino)butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(propylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(propylamino)butanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(propylamino)butyric acid Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O6/c1-3-6-15-11(14(19)20)8-13(18)16-10-7-9(17(21)22)4-5-12(10)23-2/h4-5,7,11,15H,3,6,8H2,1-2H3,(H,16,18)(H,19,20)