2-[(E)-(methylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate

Systemtic Name: 2-[(E)-(methylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate Openeye Name: 2-[(E)-(methylhydrazono)methyl]quinoline-4-carboxylic acid hydrate CAS Name: 2-[(E)-(methylhydrazinylidene)methyl]-4-quinolinecarboxylic acid hydrate IUPAC Name: 2-[(E)-(methylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate Traditional Name: 2-[(E)-(methylhydrazono)methyl]cinchoninic acid hydrate Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CNN=CC1=NC2=CC=CC=C2C(=C1)C(=O)O.O

Isomeric SMILES

CN/N=C/C1=NC2=CC=CC=C2C(=C1)C(=O)O.O

InChI

InChI=1S/C12H11N3O2.H2O/c1-13-14-7-8-6-10(12(16)17)9-4-2-3-5-11(9)15-8;/h2-7,13H,1H3,(H,16,17);1H2/b14-7+;