4-chloranyl-N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]benzamide

Systemtic Name: 4-chloranyl-N-[4,4-dimethyl-8-nitro-1,3-bis(oxidanylidene)isoquinolin-7-yl]benzamide Openeye Name: 4-chloro-N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolyl)benzamide CAS Name: 4-chloro-N-(4,4-dimethyl-8-nitro-1,3-dioxo-7-isoquinolinyl)benzamide IUPAC Name: 4-chloro-N-(4,4-dimethyl-8-nitro-1,3-dioxoisoquinolin-7-yl)benzamide Traditional Name: 4-chloro-N-(1,3-diketo-4,4-dimethyl-8-nitro-7-isoquinolyl)benzamide Formula: C18H14ClN3O5 MolecularWeight: 387.77386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC1=O)C

Isomeric SMILES

CC1(C2=C(C(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC1=O)C

InChI

InChI=1S/C18H14ClN3O5/c1-18(2)11-7-8-12(20-15(23)9-3-5-10(19)6-4-9)14(22(26)27)13(11)16(24)21-17(18)25/h3-8H,1-2H3,(H,20,23)(H,21,24,25)