2-[[(4-butoxyphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[(4-butoxyphenyl)amino]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-butoxyanilino)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-butoxyanilino)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-butoxyanilino)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-butoxyanilino)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-2-3-10-27-15-7-4-13(5-8-15)20-12-21-18(23)16-9-6-14(22(25)26)11-17(16)19(21)24/h4-9,11,20H,2-3,10,12H2,1H3