4-[(4-methoxy-3-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(4-methoxy-3-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(4-methoxy-3-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(4-methoxy-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(4-methoxy-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(4-methoxy-3-nitro-phenyl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=C(NNC3=O)C

InChI

InChI=1S/C16H17N5O5/c1-7-12(15(22)19-17-7)14(13-8(2)18-20-16(13)23)9-4-5-11(26-3)10(6-9)21(24)25/h4-6,14H,1-3H3,(H2,17,19,22)(H2,18,20,23)