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

Systemtic Name: 2-[[(2-methoxyphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(2-methoxyanilino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(2-methoxyanilino)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(2-methoxyanilino)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-(o-anisidinomethyl)isoindoline-1,3-quinone Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-24-13-8-3-2-6-11(13)17-9-18-15(20)10-5-4-7-12(19(22)23)14(10)16(18)21/h2-8,17H,9H2,1H3