4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(dodecylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(dodecylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(dodecylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(dodecylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(dodecylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(laurylamino)butyric acid Formula: C22H34ClN3O5 MolecularWeight: 455.97546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34ClN3O5/c1-2-3-4-5-6-7-8-9-10-11-14-24-20(22(28)29)16-21(27)25-19-15-17(26(30)31)12-13-18(19)23/h12-13,15,20,24H,2-11,14,16H2,1H3,(H,25,27)(H,28,29)