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

Systemtic Name: 5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-2-furanylidene]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(E)-[(5E)-5-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-[(E)-[(5E)-5-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C=CC(=C4C=C(C=CC4=O)[N+](=O)[O-])O3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)/C=C/3\C=C/C(=C\4/C=C(C=CC4=O)[N+](=O)[O-])/O3

InChI

InChI=1S/C21H15N3O5/c1-13-17(21(26)23(22-13)14-5-3-2-4-6-14)12-16-8-10-20(29-16)18-11-15(24(27)28)7-9-19(18)25/h2-12,22H,1H3/b16-12+,20-18+