ethyl 2-[5-(2-ethoxy-2-oxidanylidene-ethoxy)-4-[(4-nitrophenyl)methyl]-3-propyl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-ethoxy-2-oxidanylidene-ethoxy)-4-[(4-nitrophenyl)methyl]-3-propyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-(2-ethoxy-2-oxo-ethoxy)-4-[(4-nitrophenyl)methyl]-3-propyl-pyrazol-1-yl]acetate CAS Name: 2-[5-(2-ethoxy-2-oxoethoxy)-4-[(4-nitrophenyl)methyl]-3-propyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-4-[(4-nitrophenyl)methyl]-3-propylpyrazol-1-yl]acetate Traditional Name: 2-[5-(2-ethoxy-2-keto-ethoxy)-4-(4-nitrobenzyl)-3-propyl-pyrazol-1-yl]acetic acid ethyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C21H27N3O7/c1-4-7-18-17(12-15-8-10-16(11-9-15)24(27)28)21(31-14-20(26)30-6-3)23(22-18)13-19(25)29-5-2/h8-11H,4-7,12-14H2,1-3H3