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

Systemtic Name: 2-[[(4-ethoxyphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-ethoxyanilino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-ethoxyanilino)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-ethoxyanilino)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 4-nitro-2-(p-phenetidinomethyl)isoindoline-1,3-quinone Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5/c1-2-25-12-8-6-11(7-9-12)18-10-19-16(21)13-4-3-5-14(20(23)24)15(13)17(19)22/h3-9,18H,2,10H2,1H3