dimethyl 2-(2-azanylethyl)-1-[2-(4-nitrophenyl)ethyl]pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-azanylethyl)-1-[2-(4-nitrophenyl)ethyl]pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(2-aminoethyl)-1-[2-(4-nitrophenyl)ethyl]pyrrole-3,4-dicarboxylate CAS Name: 2-(2-aminoethyl)-1-[2-(4-nitrophenyl)ethyl]pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-aminoethyl)-1-[2-(4-nitrophenyl)ethyl]pyrrole-3,4-dicarboxylate Traditional Name: 2-(2-aminoethyl)-1-[2-(4-nitrophenyl)ethyl]pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=C1C(=O)OC)CCN)CCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CN(C(=C1C(=O)OC)CCN)CCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6/c1-26-17(22)14-11-20(15(7-9-19)16(14)18(23)27-2)10-8-12-3-5-13(6-4-12)21(24)25/h3-6,11H,7-10,19H2,1-2H3