dimethyl 3-methyl-5-[[(5-nitro-2-phenylazanyl-phenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[(5-nitro-2-phenylazanyl-phenyl)amino]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2-anilino-5-nitro-anilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[(2-anilino-5-nitroanilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-anilino-5-nitroanilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[(2-anilino-5-nitro-anilino)methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CNC2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CNC2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N4O6/c1-13-19(21(27)31-2)18(25-20(13)22(28)32-3)12-23-17-11-15(26(29)30)9-10-16(17)24-14-7-5-4-6-8-14/h4-11,23-25H,12H2,1-3H3