2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C17H11N3O7 MolecularWeight: 369.28514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O7/c1-9-5-6-10(7-13(9)20(26)27)14(21)8-18-16(22)11-3-2-4-12(19(24)25)15(11)17(18)23/h2-7H,8H2,1H3