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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(3-morpholinopropylamino)butyric acid Formula: C17H23ClN4O6 MolecularWeight: 414.84072

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1COCCN1CCCNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C17H23ClN4O6/c18-13-3-2-12(22(26)27)10-14(13)20-16(23)11-15(17(24)25)19-4-1-5-21-6-8-28-9-7-21/h2-3,10,15,19H,1,4-9,11H2,(H,20,23)(H,24,25)