6-nitro-N-(2-oxidanyl-2-pyridin-3-yl-ethyl)-3,4-dihydro-2H-chromene-2-carboxamide

Systemtic Name: 6-nitro-N-(2-oxidanyl-2-pyridin-3-yl-ethyl)-3,4-dihydro-2H-chromene-2-carboxamide Openeye Name: N-[2-hydroxy-2-(3-pyridyl)ethyl]-6-nitro-chromane-2-carboxamide CAS Name: N-[2-hydroxy-2-(3-pyridinyl)ethyl]-6-nitro-3,4-dihydro-2H-1-benzopyran-2-carboxamide IUPAC Name: N-(2-hydroxy-2-pyridin-3-ylethyl)-6-nitro-3,4-dihydro-2H-chromene-2-carboxamide Traditional Name: N-[2-hydroxy-2-(3-pyridyl)ethyl]-6-nitro-chroman-2-carboxamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])OC1C(=O)NCC(C3=CN=CC=C3)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])OC1C(=O)NCC(C3=CN=CC=C3)O

InChI

InChI=1S/C17H17N3O5/c21-14(12-2-1-7-18-9-12)10-19-17(22)16-5-3-11-8-13(20(23)24)4-6-15(11)25-16/h1-2,4,6-9,14,16,21H,3,5,10H2,(H,19,22)