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

Systemtic Name: 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-methyl-3-nitro-N-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]benzamide CAS Name: 4-methyl-N-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: 4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-methyl-N-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O3/c1-4-13-26(24(28)20-12-11-19(3)23(15-20)27(29)30)17-22-10-7-14-25(22)16-21-9-6-5-8-18(21)2/h4-12,14-15H,1,13,16-17H2,2-3H3