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

Systemtic Name: methyl 2-[1-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]benzoate Openeye Name: methyl 2-[1-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]ethylamino]benzoate CAS Name: 2-[1-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]ethylamino]benzoate Traditional Name: 2-[1-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]ethylamino]benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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