4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(diethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-chloranyl-2-methyl-phenyl)amino]-2-(diethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-2-methyl-anilino)-2-(diethylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-2-methylanilino)-2-(diethylamino)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-2-methylanilino)-2-(diethylamino)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-2-methyl-anilino)-2-(diethylamino)-4-keto-butyric acid Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC(=O)NC1=C(C(=CC=C1)Cl)C)C(=O)O

Isomeric SMILES

CCN(CC)C(CC(=O)NC1=C(C(=CC=C1)Cl)C)C(=O)O

InChI

InChI=1S/C15H21ClN2O3/c1-4-18(5-2)13(15(20)21)9-14(19)17-12-8-6-7-11(16)10(12)3/h6-8,13H,4-5,9H2,1-3H3,(H,17,19)(H,20,21)