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

Systemtic Name: 4-chloranyl-N-(3-methylbutan-2-yl)-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-(1,2-dimethylpropyl)-3-nitro-benzamide CAS Name: 4-chloro-N-(3-methylbutan-2-yl)-3-nitro-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-(3-methylbutan-2-yl)-3-nitrobenzamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-(1,2-dimethylpropyl)-3-nitro-benzamide Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-17(2)18(3)27(24(29)20-11-12-22(25)23(14-20)28(30)31)16-21-10-7-13-26(21)15-19-8-5-4-6-9-19/h4-14,17-18H,15-16H2,1-3H3