4-nitro-2-(phenylazanylmethyl)isoindole-1,3-dione

Systemtic Name: 4-nitro-2-(phenylazanylmethyl)isoindole-1,3-dione Openeye Name: 2-(anilinomethyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(anilinomethyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(anilinomethyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(anilinomethyl)-4-nitro-isoindoline-1,3-quinone Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O4/c19-14-11-7-4-8-12(18(21)22)13(11)15(20)17(14)9-16-10-5-2-1-3-6-10/h1-8,16H,9H2