(6E)-4-chloranyl-6-[(isoquinolin-5-ylamino)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-4-chloranyl-6-[(isoquinolin-5-ylamino)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-chloro-6-[(5-isoquinolylamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-4-chloro-6-[(5-isoquinolinylamino)methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-chloro-6-[(isoquinolin-5-ylamino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-chloro-6-[(5-isoquinolylamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C16H10ClN3O3 MolecularWeight: 327.7219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)N/C=C/3\C=C(C=C(C3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O3/c17-12-6-11(16(21)15(7-12)20(22)23)9-19-14-3-1-2-10-8-18-5-4-13(10)14/h1-9,19H/b11-9+