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

Systemtic Name: sodium 4-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2,4-bis(oxidanylidene)butanoate Openeye Name: sodium 4-(4-chloro-2,5-dimethoxy-anilino)-2,4-dioxo-butanoate CAS Name: sodium 4-(4-chloro-2,5-dimethoxyanilino)-2,4-dioxobutanoate IUPAC Name: sodium 4-(4-chloro-2,5-dimethoxyanilino)-2,4-dioxobutanoate Traditional Name: sodium 4-(4-chloro-2,5-dimethoxy-anilino)-2,4-diketo-butyrate Formula: C12H11ClNNaO6 MolecularWeight: 323.66161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CC(=O)C(=O)[O-])OC)Cl.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CC(=O)C(=O)[O-])OC)Cl.[Na+]

InChI

InChI=1S/C12H12ClNO6.Na/c1-19-9-4-7(10(20-2)3-6(9)13)14-11(16)5-8(15)12(17)18;/h3-4H,5H2,1-2H3,(H,14,16)(H,17,18);/q;+1/p-1