ethyl 2-methyl-4-[1-(4-nitrophenyl)carbonylpiperidin-3-yl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[1-(4-nitrophenyl)carbonylpiperidin-3-yl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-4-[1-(4-nitrobenzoyl)-3-piperidyl]-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-[1-[(4-nitrophenyl)-oxomethyl]-3-piperidinyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[1-(4-nitrobenzoyl)piperidin-3-yl]-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-4-[1-(4-nitrobenzoyl)-3-piperidyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1C2CCCN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC=C1C2CCCN(C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5/c1-3-28-20(25)18-13(2)21-11-17(18)15-5-4-10-22(12-15)19(24)14-6-8-16(9-7-14)23(26)27/h6-9,11,15,21H,3-5,10,12H2,1-2H3