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

Systemtic Name: 3-methyl-4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-3-methyl-benzoic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

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