5-(3-methoxyphenyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: 5-(3-methoxyphenyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: 5-(3-methoxyphenyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: 5-(3-methoxyphenyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: 5-(3-methoxyphenyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: 5-(3-methoxyphenyl)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-23-14-4-2-3-11(9-14)15-10-16(20)18(17-15)12-5-7-13(8-6-12)19(21)22/h2-9H,10H2,1H3