2-chloranyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-pentyl-benzamide

Systemtic Name: 2-chloranyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-pentyl-benzamide Openeye Name: 2-chloro-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-4-nitro-N-pentyl-benzamide CAS Name: 2-chloro-N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-pentylbenzamide IUPAC Name: 2-chloro-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-pentylbenzamide Traditional Name: N-amyl-2-chloro-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H28ClN3O3/c1-3-4-5-13-28(25(30)23-12-11-21(29(31)32)16-24(23)26)18-22-10-7-14-27(22)17-20-9-6-8-19(2)15-20/h6-12,14-16H,3-5,13,17-18H2,1-2H3