2-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethanoic acid Openeye Name: 2-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetic acid CAS Name: 2-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)acetic acid IUPAC Name: 2-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid Traditional Name: 2-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)acetic acid Formula: C14H7N3O8 MolecularWeight: 345.22068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O8/c18-10(19)5-15-13(20)6-1-3-8(16(22)23)12-9(17(24)25)4-2-7(11(6)12)14(15)21/h1-4H,5H2,(H,18,19)