ethyl 8-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: ethyl 8-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-oxidanylidene-chromene-3-carboxylate Openeye Name: ethyl 8-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-2-oxo-chromene-3-carboxylate CAS Name: 8-[[3-(3-nitrophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-[[3-(3-nitrophenyl)-2-isoxazolin-5-yl]methyl]chromene-3-carboxylic acid ethyl ester Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)CC3CC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C22H18N2O7/c1-2-29-21(25)18-11-15-7-3-6-14(20(15)30-22(18)26)10-17-12-19(23-31-17)13-5-4-8-16(9-13)24(27)28/h3-9,11,17H,2,10,12H2,1H3