dimethyl 2-[di(propan-2-yl)amino]-5-(4-nitrophenyl)carbonyl-1H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-[di(propan-2-yl)amino]-5-(4-nitrophenyl)carbonyl-1H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(diisopropylamino)-5-(4-nitrobenzoyl)-1H-pyrrole-3,4-dicarboxylate CAS Name: 2-[di(propan-2-yl)amino]-5-[(4-nitrophenyl)-oxomethyl]-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[di(propan-2-yl)amino]-5-(4-nitrobenzoyl)-1H-pyrrole-3,4-dicarboxylate Traditional Name: 2-(diisopropylamino)-5-(4-nitrobenzoyl)-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7/c1-11(2)23(12(3)4)19-16(21(27)31-6)15(20(26)30-5)17(22-19)18(25)13-7-9-14(10-8-13)24(28)29/h7-12,22H,1-6H3