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

Systemtic Name: 4-chloranyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-chloro-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: 4-chloro-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: 4-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-chloro-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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