2-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl propanoate

Systemtic Name: 2-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl propanoate Openeye Name: 2-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl propanoate CAS Name: propanoic acid 2-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl propanoate Traditional Name: propionic acid 2-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O

Isomeric SMILES

CCC(=O)OCCN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O

InChI

InChI=1S/C17H14N2O6/c1-2-14(20)25-9-8-18-16(21)11-5-3-4-10-13(19(23)24)7-6-12(15(10)11)17(18)22/h3-7H,2,8-9H2,1H3