2-[(3-methoxyphenyl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(3-methoxyphenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(3-methoxyphenyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(3-methoxyphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(3-methoxyphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-m-anisyl-4-nitro-isoindoline-1,3-quinone Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c1-23-11-5-2-4-10(8-11)9-17-15(19)12-6-3-7-13(18(21)22)14(12)16(17)20/h2-8H,9H2,1H3