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

Systemtic Name: 2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-1H-pyrazol-3-one Openeye Name: 2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-1H-pyrazol-3-one CAS Name: 2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-2-furanylidene]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3-bromophenyl)-5-methyl-4-[[5-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)furan-2-ylidene]methyl]-1H-pyrazol-3-one Traditional Name: 2-(3-bromophenyl)-4-[[5-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-2-furylidene]methyl]-5-methyl-3-pyrazolin-3-one Formula: C21H14BrN3O5 MolecularWeight: 468.25696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O5/c1-12-17(21(27)24(23-12)14-4-2-3-13(22)9-14)11-16-6-8-20(30-16)18-10-15(25(28)29)5-7-19(18)26/h2-11,23H,1H3