sodium; 4-[(3-ethenylphenyl)amino]-4-oxidanylidene-butanoic acid; quinoline

Systemtic Name: sodium; 4-[(3-ethenylphenyl)amino]-4-oxidanylidene-butanoic acid; quinoline Openeye Name: sodium; 4-oxo-4-(3-vinylanilino)butanoic acid; quinoline CAS Name: sodium; 4-(3-ethenylanilino)-4-oxobutanoic acid; quinoline IUPAC Name: sodium; 4-(3-ethenylanilino)-4-oxobutanoic acid; quinoline Traditional Name: sodium; 4-keto-4-(3-vinylanilino)butyric acid; quinoline Formula: C21H19N2NaO3 MolecularWeight: 370.37693

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=CC1=CC(=CC=C1)NC(=O)CCC(=O)O.C1=CC=C2C(=C1)C=CC=N2.[Na+]

Isomeric SMILES

[CH-]=CC1=CC(=CC=C1)NC(=O)CCC(=O)O.C1=CC=C2C(=C1)C=CC=N2.[Na+]

InChI

InChI=1S/C12H12NO3.C9H7N.Na/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12(15)16;1-2-6-9-8(4-1)5-3-7-10-9;/h1-5,8H,6-7H2,(H,13,14)(H,15,16);1-7H;/q-1;;+1