N-[1,3-bis(oxidanylidene)-2-phenylmethoxy-4H-isoquinolin-7-yl]-3-nitro-benzamide

Systemtic Name: N-[1,3-bis(oxidanylidene)-2-phenylmethoxy-4H-isoquinolin-7-yl]-3-nitro-benzamide Openeye Name: N-(2-benzyloxy-1,3-dioxo-4H-isoquinolin-7-yl)-3-nitro-benzamide CAS Name: N-(1,3-dioxo-2-phenylmethoxy-4H-isoquinolin-7-yl)-3-nitrobenzamide IUPAC Name: N-(1,3-dioxo-2-phenylmethoxy-4H-isoquinolin-7-yl)-3-nitrobenzamide Traditional Name: N-(2-benzoxy-1,3-diketo-4H-isoquinolin-7-yl)-3-nitro-benzamide Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C1=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C1=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H17N3O6/c27-21-12-16-9-10-18(24-22(28)17-7-4-8-19(11-17)26(30)31)13-20(16)23(29)25(21)32-14-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,24,28)