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

Systemtic Name: 4-azanyl-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-amino-3-(4-nitro-1,3-dioxo-2-isoindolyl)-4-oxobutanoic acid IUPAC Name: 4-amino-3-(4-nitro-1,3-dioxoisoindol-2-yl)-4-oxobutanoic acid Traditional Name: 4-amino-3-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-keto-butyric acid Formula: C12H9N3O7 MolecularWeight: 307.21576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(CC(=O)O)C(=O)N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C(CC(=O)O)C(=O)N

InChI

InChI=1S/C12H9N3O7/c13-10(18)7(4-8(16)17)14-11(19)5-2-1-3-6(15(21)22)9(5)12(14)20/h1-3,7H,4H2,(H2,13,18)(H,16,17)