2-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-chloranyl-6-methoxy-pyrimidin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-chloro-6-methoxy-pyrimidin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-chloro-6-methoxy-2-pyrimidinyl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-chloro-6-methoxypyrimidin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-chloro-6-methoxy-pyrimidin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C17H9ClN4O5 MolecularWeight: 384.73016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O)Cl

InChI

InChI=1S/C17H9ClN4O5/c1-27-13-7-12(18)19-17(20-13)21-15(23)9-4-2-3-8-11(22(25)26)6-5-10(14(8)9)16(21)24/h2-7H,1H3