5-nitro-2-[4-[(phenylmethyl)amino]butyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 5-nitro-2-[4-[(phenylmethyl)amino]butyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[4-(benzylamino)butyl]-5-nitro-isoindoline-1,3-dione hydrochloride CAS Name: 5-nitro-2-[4-[(phenylmethyl)amino]butyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[4-(benzylamino)butyl]-5-nitroisoindole-1,3-dione hydrochloride Traditional Name: 2-[4-(benzylamino)butyl]-5-nitro-isoindoline-1,3-quinone hydrochloride Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C19H19N3O4.ClH/c23-18-16-9-8-15(22(25)26)12-17(16)19(24)21(18)11-5-4-10-20-13-14-6-2-1-3-7-14;/h1-3,6-9,12,20H,4-5,10-11,13H2;1H