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

Systemtic Name: 2-chloranyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-prop-2-enylbenzamide IUPAC Name: 2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-chloro-N-[(1-m-anisylpyrrol-2-yl)methyl]-4-nitro-benzamide Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC=C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC=C)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H22ClN3O4/c1-3-11-26(23(28)21-10-9-18(27(29)30)14-22(21)24)16-19-7-5-12-25(19)15-17-6-4-8-20(13-17)31-2/h3-10,12-14H,1,11,15-16H2,2H3