4-azanyl-6,7-dimethyl-cinnoline-3-carboxylic acid hydrate

Systemtic Name: 4-azanyl-6,7-dimethyl-cinnoline-3-carboxylic acid hydrate Openeye Name: 4-amino-6,7-dimethyl-cinnoline-3-carboxylic acid hydrate CAS Name: 4-amino-6,7-dimethyl-3-cinnolinecarboxylic acid hydrate IUPAC Name: 4-amino-6,7-dimethylcinnoline-3-carboxylic acid hydrate Traditional Name: 4-amino-6,7-dimethyl-cinnoline-3-carboxylic acid hydrate Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N=N2)C(=O)O)N)C.O

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N=N2)C(=O)O)N)C.O

InChI

InChI=1S/C11H11N3O2.H2O/c1-5-3-7-8(4-6(5)2)13-14-10(9(7)12)11(15)16;/h3-4H,1-2H3,(H2,12,13)(H,15,16);1H2