3-azanyl-4-(1,3-benzodioxol-5-yl)-2-methyl-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-4-(1,3-benzodioxol-5-yl)-2-methyl-1H-pyrazol-5-one Openeye Name: 3-amino-4-(1,3-benzodioxol-5-yl)-2-methyl-1H-pyrazol-5-one CAS Name: 3-amino-4-(1,3-benzodioxol-5-yl)-2-methyl-1H-pyrazol-5-one IUPAC Name: 3-amino-4-(1,3-benzodioxol-5-yl)-2-methyl-1H-pyrazol-5-one Traditional Name: 5-amino-4-(1,3-benzodioxol-5-yl)-1-methyl-3-pyrazolin-3-one Formula: C11H11N3O3 MolecularWeight: 233.22334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CN1C(=C(C(=O)N1)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C11H11N3O3/c1-14-10(12)9(11(15)13-14)6-2-3-7-8(4-6)17-5-16-7/h2-4H,5,12H2,1H3,(H,13,15)