3,3-diethoxy-4-nitro-isoindol-1-amine

Systemtic Name: 3,3-diethoxy-4-nitro-isoindol-1-amine Openeye Name: 3,3-diethoxy-4-nitro-isoindol-1-amine CAS Name: 3,3-diethoxy-4-nitro-1-isoindolamine IUPAC Name: 3,3-diethoxy-4-nitroisoindol-1-amine Traditional Name: (3,3-diethoxy-4-nitro-isoindol-1-yl)amine Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=C(C=CC=C2[N+](=O)[O-])C(=N1)N)OCC

Isomeric SMILES

CCOC1(C2=C(C=CC=C2[N+](=O)[O-])C(=N1)N)OCC

InChI

InChI=1S/C12H15N3O4/c1-3-18-12(19-4-2)10-8(11(13)14-12)6-5-7-9(10)15(16)17/h5-7H,3-4H2,1-2H3,(H2,13,14)