2-(phenylmethoxycarbonylamino)ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: 2-(phenylmethoxycarbonylamino)ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Openeye Name: 2-(benzyloxycarbonylamino)ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(4-nitrophenyl)-4-pyrazolecarboxylic acid 2-(phenylmethoxycarbonylamino)ethyl ester IUPAC Name: 2-(phenylmethoxycarbonylamino)ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylic acid 2-(benzyloxycarbonylamino)ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O6/c1-15-19(13-23-24(15)17-7-9-18(10-8-17)25(28)29)20(26)30-12-11-22-21(27)31-14-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,22,27)