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

Systemtic Name: 2-[(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-[(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-6-nitrophenolate Traditional Name: 2-[(Z)-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-6-nitro-phenolate Formula: C17H10Cl2N3O4- MolecularWeight: 391.185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2N3O4/c1-9-12(7-10-3-2-4-15(16(10)23)22(25)26)17(24)21(20-9)11-5-6-13(18)14(19)8-11/h2-8,23H,1H3/p-1/b12-7-