2-propylhexyl 4-aminocarbonyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: 2-propylhexyl 4-aminocarbonyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Openeye Name: 2-propylhexyl 4-carbamoyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-carbamoyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid 2-propylhexyl ester IUPAC Name: 2-propylhexyl 4-carbamoyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-carbamoyl-2-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid 2-propylhexyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)COC(=O)C1=C(NC=C1C(=O)N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCC)COC(=O)C1=C(NC=C1C(=O)N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5/c1-3-5-8-14(7-4-2)13-29-21(26)18-17(20(22)25)12-23-19(18)15-9-6-10-16(11-15)24(27)28/h6,9-12,14,23H,3-5,7-8,13H2,1-2H3,(H2,22,25)