N,N-dibutyl-1-methyl-4-[(4-nitrophenyl)-(phenylmethyl)amino]pyrrole-2-carboxamide

Systemtic Name: N,N-dibutyl-1-methyl-4-[(4-nitrophenyl)-(phenylmethyl)amino]pyrrole-2-carboxamide Openeye Name: 4-(N-benzyl-4-nitro-anilino)-N,N-dibutyl-1-methyl-pyrrole-2-carboxamide CAS Name: N,N-dibutyl-1-methyl-4-(4-nitro-N-(phenylmethyl)anilino)-2-pyrrolecarboxamide IUPAC Name: 4-(N-benzyl-4-nitroanilino)-N,N-dibutyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-(N-benzyl-4-nitro-anilino)-N,N-dibutyl-1-methyl-pyrrole-2-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C1=CC(=CN1C)N(CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C(=O)C1=CC(=CN1C)N(CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H34N4O3/c1-4-6-17-29(18-7-5-2)27(32)26-19-25(21-28(26)3)30(20-22-11-9-8-10-12-22)23-13-15-24(16-14-23)31(33)34/h8-16,19,21H,4-7,17-18,20H2,1-3H3