2-nitro-2-(2,4,6-trimethyl-3,5-dinitro-phenyl)indene-1,3-dione

Systemtic Name: 2-nitro-2-(2,4,6-trimethyl-3,5-dinitro-phenyl)indene-1,3-dione Openeye Name: 2-nitro-2-(2,4,6-trimethyl-3,5-dinitro-phenyl)indane-1,3-dione CAS Name: 2-nitro-2-(2,4,6-trimethyl-3,5-dinitrophenyl)indene-1,3-dione IUPAC Name: 2-nitro-2-(2,4,6-trimethyl-3,5-dinitrophenyl)indene-1,3-dione Traditional Name: 2-nitro-2-(2,4,6-trimethyl-3,5-dinitro-phenyl)indane-1,3-quinone Formula: C18H13N3O8 MolecularWeight: 399.31112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)C2(C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)C2(C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O8/c1-8-13(9(2)15(20(26)27)10(3)14(8)19(24)25)18(21(28)29)16(22)11-6-4-5-7-12(11)17(18)23/h4-7H,1-3H3