ethyl 4-[(4Z)-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[(4Z)-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[(4Z)-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-1,3-dioxo-2-isoquinolyl]benzoate CAS Name: 4-[(4Z)-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-1,3-dioxo-2-isoquinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4Z)-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-1,3-dioxoisoquinolin-2-yl]benzoate Traditional Name: 4-[(4Z)-1,3-diketo-4-(3-nitro-4-piperidino-benzylidene)-2-isoquinolyl]benzoic acid ethyl ester Formula: C30H27N3O6 MolecularWeight: 525.55188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CC4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C/C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])/C2=O

InChI

InChI=1S/C30H27N3O6/c1-2-39-30(36)21-11-13-22(14-12-21)32-28(34)24-9-5-4-8-23(24)25(29(32)35)18-20-10-15-26(27(19-20)33(37)38)31-16-6-3-7-17-31/h4-5,8-15,18-19H,2-3,6-7,16-17H2,1H3/b25-18-