7-nitro-2-phenylmethoxy-4H-isoquinoline-1,3-dione

Systemtic Name: 7-nitro-2-phenylmethoxy-4H-isoquinoline-1,3-dione Openeye Name: 2-benzyloxy-7-nitro-4H-isoquinoline-1,3-dione CAS Name: 7-nitro-2-phenylmethoxy-4H-isoquinoline-1,3-dione IUPAC Name: 7-nitro-2-phenylmethoxy-4H-isoquinoline-1,3-dione Traditional Name: 2-benzoxy-7-nitro-4H-isoquinoline-1,3-quinone Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H12N2O5/c19-15-8-12-6-7-13(18(21)22)9-14(12)16(20)17(15)23-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2