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

Systemtic Name: 4-chloranyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide Openeye Name: 4-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentyl-benzamide CAS Name: 4-chloro-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-pentylbenzamide IUPAC Name: 4-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-pentylbenzamide Traditional Name: N-amyl-4-chloro-N-[(1-m-anisylpyrrol-2-yl)methyl]-3-nitro-benzamide Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O4/c1-3-4-5-13-28(25(30)20-11-12-23(26)24(16-20)29(31)32)18-21-9-7-14-27(21)17-19-8-6-10-22(15-19)33-2/h6-12,14-16H,3-5,13,17-18H2,1-2H3