methyl 3-[[(E)-2-(furan-2-ylcarbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 3-[[(E)-2-(furan-2-ylcarbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-2-[[2-furanyl(oxo)methyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]amino]benzoic acid methyl ester Formula: C22H17N3O7 MolecularWeight: 435.38628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H17N3O7/c1-31-22(28)15-4-2-5-16(13-15)23-20(26)18(24-21(27)19-6-3-11-32-19)12-14-7-9-17(10-8-14)25(29)30/h2-13H,1H3,(H,23,26)(H,24,27)/b18-12+