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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O5/c1-8(2)7-16-12(14(20)21)6-13(19)17-11-5-9(18(22)23)3-4-10(11)15/h3-5,8,12,16H,6-7H2,1-2H3,(H,17,19)(H,20,21)