methyl 4-[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(E)-3-(3-nitrophenyl)acryloyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-28-20(25)16-8-5-15(6-9-16)12-21-18(23)13-29-19(24)10-7-14-3-2-4-17(11-14)22(26)27/h2-11H,12-13H2,1H3,(H,21,23)/b10-7+