methyl 2-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethyl]amino]benzoate

Systemtic Name: methyl 2-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]ethyl]amino]benzoate Openeye Name: methyl 2-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]ethyl]amino]benzoate CAS Name: 2-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-phenyl-4-pyrazolylidene]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(1Z)-1-[1-(4-nitrophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]ethyl]amino]benzoate Traditional Name: 2-[[(1Z)-1-[5-keto-1-(4-nitrophenyl)-3-phenyl-2-pyrazolin-4-ylidene]ethyl]amino]benzoic acid methyl ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)/NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H20N4O5/c1-16(26-21-11-7-6-10-20(21)25(31)34-2)22-23(17-8-4-3-5-9-17)27-28(24(22)30)18-12-14-19(15-13-18)29(32)33/h3-15,26H,1-2H3/b22-16-