2-[3-(ethylamino)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-(ethylamino)-2-oxidanyl-propyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[3-(ethylamino)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[3-(ethylamino)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[3-(ethylamino)-2-hydroxypropyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[3-(ethylamino)-2-hydroxy-propyl]-4-nitro-isoindoline-1,3-quinone Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC(CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CCNCC(CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H15N3O5/c1-2-14-6-8(17)7-15-12(18)9-4-3-5-10(16(20)21)11(9)13(15)19/h3-5,8,14,17H,2,6-7H2,1H3