1-[1-(furan-2-ylmethyl)-2-methyl-4,6-dinitro-5-oxidanyl-indol-3-yl]ethanone

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2-methyl-4,6-dinitro-5-oxidanyl-indol-3-yl]ethanone Openeye Name: 1-[1-(2-furylmethyl)-5-hydroxy-2-methyl-4,6-dinitro-indol-3-yl]ethanone CAS Name: 1-[1-(2-furanylmethyl)-5-hydroxy-2-methyl-4,6-dinitro-3-indolyl]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methyl-4,6-dinitroindol-3-yl]ethanone Traditional Name: 1-[1-(2-furfuryl)-5-hydroxy-2-methyl-4,6-dinitro-indol-3-yl]ethanone Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C(C=C2N1CC3=CC=CO3)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C2=C(C(=C(C=C2N1CC3=CC=CO3)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C16H13N3O7/c1-8-13(9(2)20)14-11(17(8)7-10-4-3-5-26-10)6-12(18(22)23)16(21)15(14)19(24)25/h3-6,21H,7H2,1-2H3