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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methyl-2-nitro-anilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)-2-(3-morpholinopropylamino)butyric acid Formula: C18H26N4O6 MolecularWeight: 394.42224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O6/c1-13-3-4-14(16(11-13)22(26)27)20-17(23)12-15(18(24)25)19-5-2-6-21-7-9-28-10-8-21/h3-4,11,15,19H,2,5-10,12H2,1H3,(H,20,23)(H,24,25)