1,5-dimethyl-4-[(3-nitrophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[(3-nitrophenyl)-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-2-phenyl-pyrazol-3-one Openeye Name: 4-[(2-hydroxy-4-oxo-chromen-3-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(2-hydroxy-4-oxochromen-3-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(2-hydroxy-4-keto-chromen-3-yl)-(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H21N3O6 MolecularWeight: 483.47214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(OC5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC=C3)[N+](=O)[O-])C4=C(OC5=CC=CC=C5C4=O)O

InChI

InChI=1S/C27H21N3O6/c1-16-22(26(32)29(28(16)2)18-10-4-3-5-11-18)23(17-9-8-12-19(15-17)30(34)35)24-25(31)20-13-6-7-14-21(20)36-27(24)33/h3-15,23,33H,1-2H3