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

Systemtic Name: methyl 2-[(4Z)-4-(1-ethoxypropylidene)-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-(1-ethoxypropylidene)-1-(4-nitrophenyl)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-(1-ethoxypropylidene)-1-(4-nitrophenyl)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-(1-ethoxypropylidene)-1-(4-nitrophenyl)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-4-(1-ethoxypropylidene)-5-keto-1-(4-nitrophenyl)-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-4-14(26-5-2)16-13(10-15(21)25-3)18-19(17(16)22)11-6-8-12(9-7-11)20(23)24/h6-9H,4-5,10H2,1-3H3/b16-14-