3-(4-methoxyphenyl)-7-nitro-isochromen-1-one

Systemtic Name: 3-(4-methoxyphenyl)-7-nitro-isochromen-1-one Openeye Name: 3-(4-methoxyphenyl)-7-nitro-isochromen-1-one CAS Name: 3-(4-methoxyphenyl)-7-nitro-2-benzopyran-1-one IUPAC Name: 3-(4-methoxyphenyl)-7-nitroisochromen-1-one Traditional Name: 3-(4-methoxyphenyl)-7-nitro-isocoumarin Formula: C16H11NO5 MolecularWeight: 297.26224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H11NO5/c1-21-13-6-3-10(4-7-13)15-8-11-2-5-12(17(19)20)9-14(11)16(18)22-15/h2-9H,1H3