2-[[2-(2-methyl-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[2-(2-methyl-4-nitro-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 2-[[2-(2-methyl-4-nitro-phenyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]benzoic acid CAS Name: 2-[[[2-(2-methyl-4-nitrophenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-methyl-4-nitrophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid Traditional Name: 2-[[1,3-diketo-2-(2-methyl-4-nitro-phenyl)isoindoline-5-carbonyl]amino]benzoic acid Formula: C23H15N3O7 MolecularWeight: 445.3811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H15N3O7/c1-12-10-14(26(32)33)7-9-19(12)25-21(28)15-8-6-13(11-17(15)22(25)29)20(27)24-18-5-3-2-4-16(18)23(30)31/h2-11H,1H3,(H,24,27)(H,30,31)