3-(4-ethylphenyl)-4-nitro-isochromen-1-one

Systemtic Name: 3-(4-ethylphenyl)-4-nitro-isochromen-1-one Openeye Name: 3-(4-ethylphenyl)-4-nitro-isochromen-1-one CAS Name: 3-(4-ethylphenyl)-4-nitro-2-benzopyran-1-one IUPAC Name: 3-(4-ethylphenyl)-4-nitroisochromen-1-one Traditional Name: 3-(4-ethylphenyl)-4-nitro-isocoumarin Formula: C17H13NO4 MolecularWeight: 295.28942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO4/c1-2-11-7-9-12(10-8-11)16-15(18(20)21)13-5-3-4-6-14(13)17(19)22-16/h3-10H,2H2,1H3