2-(1-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanedioic acid

Systemtic Name: 2-(1-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanedioic acid Openeye Name: 2-(1-nitro-3-oxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(1-nitro-3-oxo-1H-isoindol-2-yl)butanedioic acid IUPAC Name: 2-(1-nitro-3-oxo-1H-isoindol-2-yl)butanedioic acid Traditional Name: 2-(1-keto-3-nitro-isoindolin-2-yl)succinic acid Formula: C12H10N2O7 MolecularWeight: 294.217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)C(CC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)C(CC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O7/c15-9(16)5-8(12(18)19)13-10(14(20)21)6-3-1-2-4-7(6)11(13)17/h1-4,8,10H,5H2,(H,15,16)(H,18,19)