2-methyl-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name: 2-methyl-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 2-methyl-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzoic acid CAS Name: 2-methyl-3-(5-nitro-1,3-dioxo-2-isoindolyl)benzoic acid IUPAC Name: 2-methyl-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzoic acid Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-2-methyl-benzoic acid Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

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