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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(3-morpholinopropylamino)butyric acid Formula: C18H26N4O7 MolecularWeight: 410.42164

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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)NCCCN2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCCN2CCOCC2

InChI

InChI=1S/C18H26N4O7/c1-28-16-4-3-13(22(26)27)11-14(16)20-17(23)12-15(18(24)25)19-5-2-6-21-7-9-29-10-8-21/h3-4,11,15,19H,2,5-10,12H2,1H3,(H,20,23)(H,24,25)