4-azanyl-7-methyl-cinnoline-3-carboxylic acid hydrate

Systemtic Name: 4-azanyl-7-methyl-cinnoline-3-carboxylic acid hydrate Openeye Name: 4-amino-7-methyl-cinnoline-3-carboxylic acid hydrate CAS Name: 4-amino-7-methyl-3-cinnolinecarboxylic acid hydrate IUPAC Name: 4-amino-7-methylcinnoline-3-carboxylic acid hydrate Traditional Name: 4-amino-7-methyl-cinnoline-3-carboxylic acid hydrate Formula: C10H11N3O3 MolecularWeight: 221.21264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N=N2)C(=O)O)N.O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N=N2)C(=O)O)N.O

InChI

InChI=1S/C10H9N3O2.H2O/c1-5-2-3-6-7(4-5)12-13-9(8(6)11)10(14)15;/h2-4H,1H3,(H2,11,12)(H,14,15);1H2