(3S,4R)-4-(2,2-diethoxyethyl)-3-nitro-3,4-dihydrochromen-2-one

Systemtic Name: (3S,4R)-4-(2,2-diethoxyethyl)-3-nitro-3,4-dihydrochromen-2-one Openeye Name: (3S,4R)-4-(2,2-diethoxyethyl)-3-nitro-chroman-2-one CAS Name: (3S,4R)-4-(2,2-diethoxyethyl)-3-nitro-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: (3S,4R)-4-(2,2-diethoxyethyl)-3-nitro-3,4-dihydrochromen-2-one Traditional Name: (3S,4R)-4-(2,2-diethoxyethyl)-3-nitro-chroman-2-one Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6/c1-3-20-13(21-4-2)9-11-10-7-5-6-8-12(10)22-15(17)14(11)16(18)19/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-,14+/m1/s1