4-[[2,5-bis(chloranyl)phenyl]amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]amino]-2-(2-methylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2,5-dichloroanilino)-2-(isobutylammonio)-4-oxo-butanoate CAS Name: 4-(2,5-dichloroanilino)-2-(2-methylpropylammonio)-4-oxobutanoate IUPAC Name: 4-(2,5-dichloroanilino)-2-(2-methylpropylazaniumyl)-4-oxobutanoate Traditional Name: 4-(2,5-dichloroanilino)-2-(isobutylammonio)-4-keto-butyrate Formula: C14H18Cl2N2O3 MolecularWeight: 333.21032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH2+]C(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C14H18Cl2N2O3/c1-8(2)7-17-12(14(20)21)6-13(19)18-11-5-9(15)3-4-10(11)16/h3-5,8,12,17H,6-7H2,1-2H3,(H,18,19)(H,20,21)