3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; heptanoic acid

Systemtic Name: 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; heptanoic acid Openeye Name: 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; heptanoic acid CAS Name: 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; heptanoic acid IUPAC Name: 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; heptanoic acid Traditional Name: 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrol[2,3-b]indol-7-ol; enanthic acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CC12CCN(C1N(C3=C(C=C(C=C23)O)[N+](=O)[O-])C)C

Isomeric SMILES

CCCCCCC(=O)O.CC12CCN(C1N(C3=C(C=C(C=C23)O)[N+](=O)[O-])C)C

InChI

InChI=1S/C13H17N3O3.C7H14O2/c1-13-4-5-14(2)12(13)15(3)11-9(13)6-8(17)7-10(11)16(18)19;1-2-3-4-5-6-7(8)9/h6-7,12,17H,4-5H2,1-3H3;2-6H2,1H3,(H,8,9)