(4Z)-4-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one hydrobromide

Systemtic Name: (4Z)-4-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one hydrobromide Openeye Name: (4Z)-4-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one hydrobromide CAS Name: (4Z)-4-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-hydroxy-6-nitro-1-cyclohexa-2,5-dienone hydrobromide IUPAC Name: (4Z)-4-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one hydrobromide Traditional Name: (4Z)-4-(3,4-dihydro-2H-isoquinolin-1-ylidene)-2-hydroxy-6-nitro-cyclohexa-2,5-dien-1-one hydrobromide Formula: C15H13BrN2O4 MolecularWeight: 365.17872

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C=C(C(=O)C(=C2)O)[N+](=O)[O-])C3=CC=CC=C31.Br

Isomeric SMILES

C1CN/C(=C\2/C=C(C(=O)C(=C2)O)[N+](=O)[O-])/C3=CC=CC=C31.Br

InChI

InChI=1S/C15H12N2O4.BrH/c18-13-8-10(7-12(15(13)19)17(20)21)14-11-4-2-1-3-9(11)5-6-16-14;/h1-4,7-8,16,18H,5-6H2;1H/b14-10-;