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

Systemtic Name: 2-[4-[ethyl-(phenylmethyl)amino]butyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[4-[benzyl(ethyl)amino]butyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[4-[ethyl-(phenylmethyl)amino]butyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[4-[benzyl(ethyl)amino]butyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[4-[benzyl(ethyl)amino]butyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCN(CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-2-22(15-16-8-4-3-5-9-16)12-6-7-13-23-20(25)18-11-10-17(24(27)28)14-19(18)21(23)26/h3-5,8-11,14H,2,6-7,12-13,15H2,1H3