4-[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one

Systemtic Name: 4-[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Openeye Name: 4-[(E)-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one CAS Name: 4-[(E)-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one Traditional Name: 4-[(E)-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-5-methyl-2-(4-nitrophenyl)-3-pyrazolin-3-one Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=C3C=CC=C(C3=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])/C=C/3\C=CC=C(C3=O)OC

InChI

InChI=1S/C18H15N3O5/c1-11-15(10-12-4-3-5-16(26-2)17(12)22)18(23)20(19-11)13-6-8-14(9-7-13)21(24)25/h3-10,19H,1-2H3/b12-10+