N-(3-fluorophenyl)-4-nitro-N-[(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)methyl]benzamide

Systemtic Name: N-(3-fluorophenyl)-4-nitro-N-[(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)methyl]benzamide Openeye Name: N-(3-fluorophenyl)-4-nitro-N-[(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)methyl]benzamide CAS Name: N-(3-fluorophenyl)-4-nitro-N-[(3,4,5-trimethoxy-1-cyclohexa-1,3-dienyl)methyl]benzamide IUPAC Name: N-(3-fluorophenyl)-4-nitro-N-[(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)methyl]benzamide Traditional Name: N-(3-fluorophenyl)-4-nitro-N-[(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)methyl]benzamide Formula: C23H23FN2O6 MolecularWeight: 442.436923

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=CC(=C1OC)OC)CN(C2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1CC(=CC(=C1OC)OC)CN(C2=CC(=CC=C2)F)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23FN2O6/c1-30-20-11-15(12-21(31-2)22(20)32-3)14-25(19-6-4-5-17(24)13-19)23(27)16-7-9-18(10-8-16)26(28)29/h4-11,13,21H,12,14H2,1-3H3