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

Systemtic Name: 2-methyl-3-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 2-methyl-3-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 2-methyl-3-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 3-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]-2-methyl-benzoic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H15N3O7/c1-10-12(19(26)27)3-2-4-15(10)20-16(23)7-8-21-17(24)13-6-5-11(22(28)29)9-14(13)18(21)25/h2-6,9H,7-8H2,1H3,(H,20,23)(H,26,27)