4-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-methoxy-6-nitro-phenolate Formula: C18H13BrN3O5- MolecularWeight: 431.21692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O5/c1-10-14(18(24)21(20-10)13-5-3-12(19)4-6-13)7-11-8-15(22(25)26)17(23)16(9-11)27-2/h3-9,23H,1-2H3/p-1/b14-7-