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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-13-6-8-15(20(25)28-2)11-17(13)21-18(23)12-29-19(24)9-7-14-4-3-5-16(10-14)22(26)27/h3-11H,12H2,1-2H3,(H,21,23)/b9-7+