6-nitro-2-(phenylmethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-(phenylmethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-benzyl-6-nitro-4H-isoquinoline-1,3-dione CAS Name: 6-nitro-2-(phenylmethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-benzyl-6-nitro-4H-isoquinoline-1,3-dione Traditional Name: 2-benzyl-6-nitro-4H-isoquinoline-1,3-quinone Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C1=O)CC3=CC=CC=C3

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N(C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H12N2O4/c19-15-9-12-8-13(18(21)22)6-7-14(12)16(20)17(15)10-11-4-2-1-3-5-11/h1-8H,9-10H2