methyl 2,5-dimethyl-4-[4-(2-nitrophenyl)butanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,5-dimethyl-4-[4-(2-nitrophenyl)butanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,5-dimethyl-4-[4-(2-nitrophenyl)butanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[4-(2-nitrophenyl)-1-oxobutyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,5-dimethyl-4-[4-(2-nitrophenyl)butanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[4-(2-nitrophenyl)butanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)CCCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)CCCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-11-16(17(12(2)19-11)18(22)25-3)15(21)10-6-8-13-7-4-5-9-14(13)20(23)24/h4-5,7,9,19H,6,8,10H2,1-3H3