[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H17ClN2O8 MolecularWeight: 472.83198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O8/c1-2-31-22(28)24-15-5-6-16-14(10-21(27)33-19(16)11-15)12-32-20(26)8-4-13-3-7-17(23)18(9-13)25(29)30/h3-11H,2,12H2,1H3,(H,24,28)/b8-4+