5-nitro-3-(phenylmethoxymethyl)isochromen-1-one

Systemtic Name: 5-nitro-3-(phenylmethoxymethyl)isochromen-1-one Openeye Name: 3-(benzyloxymethyl)-5-nitro-isochromen-1-one CAS Name: 5-nitro-3-(phenylmethoxymethyl)-2-benzopyran-1-one IUPAC Name: 5-nitro-3-(phenylmethoxymethyl)isochromen-1-one Traditional Name: 3-(benzoxymethyl)-5-nitro-isocoumarin Formula: C17H13NO5 MolecularWeight: 311.28882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C17H13NO5/c19-17-14-7-4-8-16(18(20)21)15(14)9-13(23-17)11-22-10-12-5-2-1-3-6-12/h1-9H,10-11H2