ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1)[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N2O6/c1-2-20-14(17)13-12(9(6-15-13)16(18)19)8-3-4-10-11(5-8)22-7-21-10/h3-6,15H,2,7H2,1H3