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

Systemtic Name: 5-azanyl-3-(phenylmethoxymethyl)isochromen-1-one Openeye Name: 5-amino-3-(benzyloxymethyl)isochromen-1-one CAS Name: 5-amino-3-(phenylmethoxymethyl)-2-benzopyran-1-one IUPAC Name: 5-amino-3-(phenylmethoxymethyl)isochromen-1-one Traditional Name: 5-amino-3-(benzoxymethyl)isocoumarin Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC3=C(C=CC=C3N)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC3=C(C=CC=C3N)C(=O)O2

InChI

InChI=1S/C17H15NO3/c18-16-8-4-7-14-15(16)9-13(21-17(14)19)11-20-10-12-5-2-1-3-6-12/h1-9H,10-11,18H2