2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanedioic acid

Systemtic Name: 2-(7-nitro-3-oxidanylidene-1H-isoindol-2-yl)butanedioic acid Openeye Name: 2-(4-nitro-1-oxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(7-nitro-3-oxo-1H-isoindol-2-yl)butanedioic acid IUPAC Name: 2-(7-nitro-3-oxo-1H-isoindol-2-yl)butanedioic acid Traditional Name: 2-(1-keto-4-nitro-isoindolin-2-yl)succinic acid Formula: C12H10N2O7 MolecularWeight: 294.217

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1C(CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1C(CC(=O)O)C(=O)O

InChI

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