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

Systemtic Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[1-[(3-fluorophenyl)methyl]-2-pyrrolyl]methyl]-4-methyl-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[[1-(3-fluorobenzyl)pyrrol-2-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C23H22FN3O3 MolecularWeight: 407.437483

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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=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC=C)CC2=CC=CN2CC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN3O3/c1-3-11-26(23(28)19-10-9-17(2)22(14-19)27(29)30)16-21-8-5-12-25(21)15-18-6-4-7-20(24)13-18/h3-10,12-14H,1,11,15-16H2,2H3