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

Systemtic Name: 2-methoxy-4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-6-nitrophenolate Traditional Name: 4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C18H14N3O5- MolecularWeight: 352.32086

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c1-11-14(18(23)20(19-11)13-6-4-3-5-7-13)8-12-9-15(21(24)25)17(22)16(10-12)26-2/h3-10,22H,1-2H3/p-1/b14-8-