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

Systemtic Name: 2-(butylamino)-4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(butylamino)-4-(2-chloro-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(butylamino)-4-(2-chloro-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(butylamino)-4-(2-chloro-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-(butylamino)-4-(2-chloro-5-nitro-anilino)-4-keto-butyric acid Formula: C14H18ClN3O5 MolecularWeight: 343.76282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O5/c1-2-3-6-16-12(14(20)21)8-13(19)17-11-7-9(18(22)23)4-5-10(11)15/h4-5,7,12,16H,2-3,6,8H2,1H3,(H,17,19)(H,20,21)