methyl N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-methyl-carbamate hydrate

Systemtic Name: methyl N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-methyl-carbamate hydrate Openeye Name: methyl N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-methyl-carbamate hydrate CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-N-methylcarbamic acid methyl ester hydrate IUPAC Name: methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylcarbamate hydrate Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-N-methyl-carbamic acid methyl ester hydrate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)OC.O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)OC.O

InChI

InChI=1S/C14H17N3O3.H2O/c1-10-12(15(2)14(19)20-4)13(18)17(16(10)3)11-8-6-5-7-9-11;/h5-9H,1-4H3;1H2