3,4-dimethoxy-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-[(E)-prop-1-enyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-[(E)-prop-1-enyl]benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C(=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)OC)OC

Isomeric SMILES

C/C=C/C1=C(C(=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)OC)OC

InChI

InChI=1S/C20H22N2O6/c1-4-5-14-10-15(11-18(27-2)19(14)28-3)20(24)21-12-17(23)13-6-8-16(9-7-13)22(25)26/h4-11,17,23H,12H2,1-3H3,(H,21,24)/b5-4+