methyl 4-[2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoate

Systemtic Name: methyl 4-[2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]benzoate Openeye Name: methyl 4-[2-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzoate CAS Name: 4-[2-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoate Traditional Name: 4-[N'-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]hydrazino]benzoic acid methyl ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-11-16(20-19-13-5-3-12(4-6-13)18(25)28-2)17(24)22(21-11)14-7-9-15(10-8-14)23(26)27/h3-10,19H,1-2H3