3-[3-nitro-4,5-bis(oxidanyl)phenyl]isochromen-1-one

Systemtic Name: 3-[3-nitro-4,5-bis(oxidanyl)phenyl]isochromen-1-one Openeye Name: 3-(3,4-dihydroxy-5-nitro-phenyl)isochromen-1-one CAS Name: 3-(3,4-dihydroxy-5-nitrophenyl)-2-benzopyran-1-one IUPAC Name: 3-(3,4-dihydroxy-5-nitrophenyl)isochromen-1-one Traditional Name: 3-(3,4-dihydroxy-5-nitro-phenyl)isocoumarin Formula: C15H9NO6 MolecularWeight: 299.23506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(OC2=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(OC2=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H9NO6/c17-12-6-9(5-11(14(12)18)16(20)21)13-7-8-3-1-2-4-10(8)15(19)22-13/h1-7,17-18H