N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enyl-benzamide

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3/c1-2-12-25(22(27)18-8-10-20(11-9-18)26(28)29)16-21-7-4-13-24(21)15-17-5-3-6-19(23)14-17/h2-11,13-14H,1,12,15-16H2