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

Systemtic Name: 4-chloranyl-N-cyclopropyl-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-cyclopropyl-3-nitro-benzamide CAS Name: 4-chloro-N-cyclopropyl-3-nitro-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-cyclopropyl-3-nitrobenzamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-cyclopropyl-3-nitro-benzamide Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CN2CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1N(CC2=CC=CN2CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O3/c23-20-11-8-17(13-21(20)26(28)29)22(27)25(18-9-10-18)15-19-7-4-12-24(19)14-16-5-2-1-3-6-16/h1-8,11-13,18H,9-10,14-15H2