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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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