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

Systemtic Name: 2-chloranyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-chloro-4-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: 2-chloro-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-prop-2-enylbenzamide IUPAC Name: 2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-chloro-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-4-nitro-benzamide Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CN(CC=C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H22ClN3O3/c1-3-12-26(23(28)21-11-10-19(27(29)30)14-22(21)24)16-20-9-6-13-25(20)15-18-8-5-4-7-17(18)2/h3-11,13-14H,1,12,15-16H2,2H3