2-(2-methyl-5-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(2-methyl-5-nitro-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(2-methyl-5-nitro-phenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(2-methyl-5-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(2-methyl-5-nitrophenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-(2-methyl-5-nitro-phenyl)isoindoline-5-carboxylic acid Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H10N2O6/c1-8-2-4-10(18(23)24)7-13(8)17-14(19)11-5-3-9(16(21)22)6-12(11)15(17)20/h2-7H,1H3,(H,21,22)