cyanomethyl 4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: cyanomethyl 4-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: cyanomethyl 4-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)benzoic acid cyanomethyl ester Formula: C21H11N3O6 MolecularWeight: 401.32854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O6/c22-10-11-30-21(27)12-4-6-13(7-5-12)23-19(25)15-3-1-2-14-17(24(28)29)9-8-16(18(14)15)20(23)26/h1-9H,11H2