4,4-dimethyl-5-nitro-6-phenylmethoxy-3H-chromen-2-one

Systemtic Name: 4,4-dimethyl-5-nitro-6-phenylmethoxy-3H-chromen-2-one Openeye Name: 6-benzyloxy-4,4-dimethyl-5-nitro-chroman-2-one CAS Name: 4,4-dimethyl-5-nitro-6-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-one IUPAC Name: 4,4-dimethyl-5-nitro-6-phenylmethoxy-3H-chromen-2-one Traditional Name: 6-benzoxy-4,4-dimethyl-5-nitro-chroman-2-one Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC2=C1C(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)OC2=C1C(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17NO5/c1-18(2)10-15(20)24-13-8-9-14(17(16(13)18)19(21)22)23-11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3