methyl 2-[(4Z)-1-(4-nitrophenyl)-5-oxidanylidene-4-(1-phenylazanylethylidene)pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-1-(4-nitrophenyl)-5-oxidanylidene-4-(1-phenylazanylethylidene)pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-(1-anilinoethylidene)-1-(4-nitrophenyl)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-(1-anilinoethylidene)-1-(4-nitrophenyl)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-(1-anilinoethylidene)-1-(4-nitrophenyl)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-4-(1-anilinoethylidene)-5-keto-1-(4-nitrophenyl)-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)OC)NC3=CC=CC=C3

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)OC)/NC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O5/c1-13(21-14-6-4-3-5-7-14)19-17(12-18(25)29-2)22-23(20(19)26)15-8-10-16(11-9-15)24(27)28/h3-11,21H,12H2,1-2H3/b19-13-