5-nitro-2-(pyridin-3-ylmethyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-nitro-2-(pyridin-3-ylmethyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5-nitro-2-(3-pyridylmethyl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-nitro-2-(3-pyridinylmethyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-nitro-2-(pyridin-3-ylmethyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5-nitro-2-(3-pyridylmethyl)benzo[de]isoquinoline-1,3-quinone Formula: C18H11N3O4 MolecularWeight: 333.29764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O4/c22-17-14-5-1-4-12-7-13(21(24)25)8-15(16(12)14)18(23)20(17)10-11-3-2-6-19-9-11/h1-9H,10H2