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

Systemtic Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-3-nitro-benzamide CAS Name: N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzamide Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2CN(CC=C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O3/c1-3-12-25(23(27)20-9-5-10-21(15-20)26(28)29)17-22-11-6-13-24(22)16-19-8-4-7-18(2)14-19/h3-11,13-15H,1,12,16-17H2,2H3