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

Systemtic Name: 2-[[(4-ethanoylphenyl)amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-acetylanilino)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-acetylanilino)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-acetylanilino)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(4-acetylanilino)methyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H13N3O5 MolecularWeight: 339.30222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5/c1-10(21)11-5-7-12(8-6-11)18-9-19-16(22)13-3-2-4-14(20(24)25)15(13)17(19)23/h2-8,18H,9H2,1H3