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

Systemtic Name: 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol; ethanoic acid Openeye Name: acetic acid; 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol CAS Name: acetic acid; 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol IUPAC Name: acetic acid; 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-ol Traditional Name: acetic acid; 3,4,8b-trimethyl-5-nitro-2,3a-dihydro-1H-pyrrol[2,3-b]indol-7-ol Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3.C2H4O2/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/h6-7,12,17H,4-5H2,1-3H3;1H3,(H,3,4)