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

Systemtic Name: 4-azanyl-3-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-amino-3-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)-4-oxobutanoic acid IUPAC Name: 4-amino-3-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)-4-oxobutanoic acid Traditional Name: 4-amino-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-keto-3-methyl-butyric acid Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C(C(=O)O)N1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H11N3O7/c1-5(10(14)17)9(13(20)21)15-11(18)6-3-2-4-7(16(22)23)8(6)12(15)19/h2-5,9H,1H3,(H2,14,17)(H,20,21)