ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(5-nitrofuran-2-yl)carbonylamino]pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(5-nitrofuran-2-yl)carbonylamino]pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(5-nitrofuran-2-carbonyl)amino]pyrrole-2-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[[(5-nitro-2-furanyl)-oxomethyl]amino]-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(5-nitrofuran-2-carbonyl)amino]pyrrole-2-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-methyl-3-[(5-nitro-2-furoyl)amino]pyrrole-2-carboxylic acid ethyl ester Formula: C20H17N3O8 MolecularWeight: 427.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1C)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1C)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8/c1-3-28-20(25)18-17(21-19(24)14-6-7-16(31-14)23(26)27)12(9-22(18)2)11-4-5-13-15(8-11)30-10-29-13/h4-9H,3,10H2,1-2H3,(H,21,24)