ethyl 1,2-dimethyl-4,6-dinitro-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-4,6-dinitro-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1,2-dimethyl-4,6-dinitro-indole-3-carboxylate CAS Name: 5-hydroxy-1,2-dimethyl-4,6-dinitro-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1,2-dimethyl-4,6-dinitroindole-3-carboxylate Traditional Name: 5-hydroxy-1,2-dimethyl-4,6-dinitro-indole-3-carboxylic acid ethyl ester Formula: C13H13N3O7 MolecularWeight: 323.25822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])O)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])O)[N+](=O)[O-])C)C

InChI

InChI=1S/C13H13N3O7/c1-4-23-13(18)9-6(2)14(3)7-5-8(15(19)20)12(17)11(10(7)9)16(21)22/h5,17H,4H2,1-3H3