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

Systemtic Name: 2-[3-(diethylamino)propylamino]-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[3-(diethylamino)propylamino]-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[3-(diethylamino)propylamino]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[3-(diethylamino)propylamino]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[3-(diethylamino)propylamino]-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C18H28N4O6 MolecularWeight: 396.43812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6/c1-4-21(5-2)10-6-9-19-15(18(24)25)12-17(23)20-14-11-13(22(26)27)7-8-16(14)28-3/h7-8,11,15,19H,4-6,9-10,12H2,1-3H3,(H,20,23)(H,24,25)