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

Systemtic Name: 2-methyl-3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoic acid CAS Name: 2-methyl-3-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-2-methyl-benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H13N3O7/c1-9-11(18(25)26)3-2-4-14(9)19-15(22)8-20-16(23)12-6-5-10(21(27)28)7-13(12)17(20)24/h2-7H,8H2,1H3,(H,19,22)(H,25,26)