N-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)-3-(2-nitrophenyl)-3-oxidanylidene-propanamide

Systemtic Name: N-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)-3-(2-nitrophenyl)-3-oxidanylidene-propanamide Openeye Name: N-(5-methoxy-2,3-dihydrobenzofuran-6-yl)-3-(2-nitrophenyl)-3-oxo-propanamide CAS Name: N-(5-methoxy-2,3-dihydrobenzofuran-6-yl)-3-(2-nitrophenyl)-3-oxopropanamide IUPAC Name: N-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)-3-(2-nitrophenyl)-3-oxopropanamide Traditional Name: 3-keto-N-(5-methoxycoumaran-6-yl)-3-(2-nitrophenyl)propionamide Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCO2)NC(=O)CC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CCO2)NC(=O)CC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-25-17-8-11-6-7-26-16(11)9-13(17)19-18(22)10-15(21)12-4-2-3-5-14(12)20(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)