2-[[(3-nitrophenyl)-(phenylmethyl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(3-nitrophenyl)-(phenylmethyl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[(N-benzyl-3-nitro-anilino)methyl]isoindoline-1,3-dione CAS Name: 2-[(3-nitro-N-(phenylmethyl)anilino)methyl]isoindole-1,3-dione IUPAC Name: 2-[(N-benzyl-3-nitroanilino)methyl]isoindole-1,3-dione Traditional Name: 2-[(N-benzyl-3-nitro-anilino)methyl]isoindoline-1,3-quinone Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4/c26-21-19-11-4-5-12-20(19)22(27)24(21)15-23(14-16-7-2-1-3-8-16)17-9-6-10-18(13-17)25(28)29/h1-13H,14-15H2