(3R,4S)-4-(3-methoxy-2-oxidanylidene-but-3-enyl)-3-nitro-3,4-dihydrochromen-2-one

Systemtic Name: (3R,4S)-4-(3-methoxy-2-oxidanylidene-but-3-enyl)-3-nitro-3,4-dihydrochromen-2-one Openeye Name: (3R,4S)-4-(3-methoxy-2-oxo-but-3-enyl)-3-nitro-chroman-2-one CAS Name: (3R,4S)-4-(3-methoxy-2-oxobut-3-enyl)-3-nitro-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (3R,4S)-4-(3-methoxy-2-oxobut-3-enyl)-3-nitro-3,4-dihydrochromen-2-one Traditional Name: (3R,4S)-4-(2-keto-3-methoxy-but-3-enyl)-3-nitro-chroman-2-one Formula: C14H13NO6 MolecularWeight: 291.25612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=C)C(=O)CC1C(C(=O)OC2=CC=CC=C12)[N+](=O)[O-]

Isomeric SMILES

COC(=C)C(=O)C[C@@H]1[C@H](C(=O)OC2=CC=CC=C12)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO6/c1-8(20-2)11(16)7-10-9-5-3-4-6-12(9)21-14(17)13(10)15(18)19/h3-6,10,13H,1,7H2,2H3/t10-,13+/m0/s1