[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-keto-ethyl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)C(=O)COC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7/c1-3-21(10-14-11-27-16-6-4-5-7-17(16)29-14)18(23)12-28-19(24)15-8-13(22(25)26)9-20(15)2/h4-9,14H,3,10-12H2,1-2H3