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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-[3-(dimethylamino)propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-[3-(dimethylamino)propylamino]-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-[3-(dimethylamino)propylamino]-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-[3-(dimethylamino)propylamino]-4-keto-butyric acid Formula: C15H21ClN4O5 MolecularWeight: 372.80404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN4O5/c1-19(2)7-3-6-17-13(15(22)23)9-14(21)18-12-8-10(20(24)25)4-5-11(12)16/h4-5,8,13,17H,3,6-7,9H2,1-2H3,(H,18,21)(H,22,23)