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

Systemtic Name: 3-(3-methylphenyl)-5-nitro-isochromen-1-one Openeye Name: 3-(m-tolyl)-5-nitro-isochromen-1-one CAS Name: 3-(3-methylphenyl)-5-nitro-2-benzopyran-1-one IUPAC Name: 3-(3-methylphenyl)-5-nitroisochromen-1-one Traditional Name: 3-(m-tolyl)-5-nitro-isocoumarin Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=C(C=CC=C3[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C16H11NO4/c1-10-4-2-5-11(8-10)15-9-13-12(16(18)21-15)6-3-7-14(13)17(19)20/h2-9H,1H3