ethyl 5-azanyl-1-phenyl-pyrazole-4-carboxylate hydrate

Systemtic Name: ethyl 5-azanyl-1-phenyl-pyrazole-4-carboxylate hydrate Openeye Name: ethyl 5-amino-1-phenyl-pyrazole-4-carboxylate hydrate CAS Name: 5-amino-1-phenyl-4-pyrazolecarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 5-amino-1-phenylpyrazole-4-carboxylate hydrate Traditional Name: 5-amino-1-phenyl-pyrazole-4-carboxylic acid ethyl ester hydrate Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N.O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N.O

InChI

InChI=1S/C12H13N3O2.H2O/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9;/h3-8H,2,13H2,1H3;1H2