ethyl 1-(furan-2-ylmethyl)-2-methyl-4,6-dinitro-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 1-(furan-2-ylmethyl)-2-methyl-4,6-dinitro-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 1-(2-furylmethyl)-5-hydroxy-2-methyl-4,6-dinitro-indole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-5-hydroxy-2-methyl-4,6-dinitro-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(furan-2-ylmethyl)-5-hydroxy-2-methyl-4,6-dinitroindole-3-carboxylate Traditional Name: 1-(2-furfuryl)-5-hydroxy-2-methyl-4,6-dinitro-indole-3-carboxylic acid ethyl ester Formula: C17H15N3O8 MolecularWeight: 389.3163

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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-])CC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])O)[N+](=O)[O-])CC3=CC=CO3)C

InChI

InChI=1S/C17H15N3O8/c1-3-27-17(22)13-9(2)18(8-10-5-4-6-28-10)11-7-12(19(23)24)16(21)15(14(11)13)20(25)26/h4-7,21H,3,8H2,1-2H3