methyl 5-[di(propan-2-yl)amino]-2-(4-nitrophenyl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[di(propan-2-yl)amino]-2-(4-nitrophenyl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(diisopropylamino)-2-(4-nitrobenzoyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[di(propan-2-yl)amino]-2-[(4-nitrophenyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[di(propan-2-yl)amino]-2-(4-nitrobenzoyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-(diisopropylamino)-2-(4-nitrobenzoyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC(=C(N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(C)C

Isomeric SMILES

CC(C)N(C1=CC(=C(N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C(C)C

InChI

InChI=1S/C19H23N3O5/c1-11(2)21(12(3)4)16-10-15(19(24)27-5)17(20-16)18(23)13-6-8-14(9-7-13)22(25)26/h6-12,20H,1-5H3