4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-3-nitro-benzoate

Systemtic Name: 4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-3-nitro-benzoate Openeye Name: 4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]-3-nitro-benzoate CAS Name: 4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-3-nitrobenzoate IUPAC Name: 4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-3-nitrobenzoate Traditional Name: 4-[[(Z)-[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]-3-nitro-benzoate Formula: C20H17N4O5- MolecularWeight: 393.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C\NC3=C(C=C(C=C3)C(=O)[O-])[N+](=O)[O-])/C(=N2)C)C

InChI

InChI=1S/C20H18N4O5/c1-11-4-6-15(8-12(11)2)23-19(25)16(13(3)22-23)10-21-17-7-5-14(20(26)27)9-18(17)24(28)29/h4-10,21H,1-3H3,(H,26,27)/p-1/b16-10-