ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)pyrazole-3-carboxylate CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=CC(=CC=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H17N3O6/c1-2-27-20(24)17-12-16(13-6-7-18-19(10-13)29-9-8-28-18)21-22(17)14-4-3-5-15(11-14)23(25)26/h3-7,10-12H,2,8-9H2,1H3