4-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(3,5-dimethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-[(3,5-dimethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[(3,5-dimethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-[(4-keto-3,5-dimethoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C25H21N3O7 MolecularWeight: 475.45014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])C=C4C=C(C(=O)C(=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])C=C4C=C(C(=O)C(=C4)OC)OC

InChI

InChI=1S/C25H21N3O7/c1-33-19-10-4-16(5-11-19)23-20(12-15-13-21(34-2)24(29)22(14-15)35-3)25(30)27(26-23)17-6-8-18(9-7-17)28(31)32/h4-14,26H,1-3H3