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

Systemtic Name: butyl 4-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-3-(3-nitrophenyl)acryloyl]oxyacetyl]amino]benzoic acid butyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7/c1-2-3-13-30-22(27)17-8-10-18(11-9-17)23-20(25)15-31-21(26)12-7-16-5-4-6-19(14-16)24(28)29/h4-12,14H,2-3,13,15H2,1H3,(H,23,25)/b12-7+