2-[5-[(Z)-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]-4-nitro-phenolate

Systemtic Name: 2-[5-[(Z)-[1-(3-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]-4-nitro-phenolate Openeye Name: 2-[5-[(Z)-[1-(3-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]-4-nitro-phenolate CAS Name: 2-[5-[(Z)-[1-(3-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furanyl]-4-nitrophenolate IUPAC Name: 2-[5-[(Z)-[1-(3-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]-4-nitrophenolate Traditional Name: 2-[5-[(Z)-[1-(3-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-furyl]-4-nitro-phenolate Formula: C21H13BrN3O5- MolecularWeight: 467.24902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC(=CC=C4)Br

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC(=CC=C4)Br

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/h2-11,26H,1H3/p-1/b17-11-