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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-[3-(diethylamino)propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-[3-(diethylamino)propylamino]-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-[3-(diethylamino)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-[3-(diethylamino)propylamino]-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-[3-(diethylamino)propylamino]-4-keto-butyric acid Formula: C17H25ClN4O5 MolecularWeight: 400.8572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O5/c1-3-21(4-2)9-5-8-19-15(17(24)25)11-16(23)20-14-10-12(22(26)27)6-7-13(14)18/h6-7,10,15,19H,3-5,8-9,11H2,1-2H3,(H,20,23)(H,24,25)