3-[[(2E,4E,6Z)-6-nitroocta-2,4,6-trien-4-yl]amino]-2H-isoquinolin-1-one

Systemtic Name: 3-[[(2E,4E,6Z)-6-nitroocta-2,4,6-trien-4-yl]amino]-2H-isoquinolin-1-one Openeye Name: 3-[[(1E,3Z)-3-nitro-1-[(E)-prop-1-enyl]penta-1,3-dienyl]amino]-2H-isoquinolin-1-one CAS Name: 3-[[(2E,4E,6Z)-6-nitroocta-2,4,6-trien-4-yl]amino]-2H-isoquinolin-1-one IUPAC Name: 3-[[(2E,4E,6Z)-6-nitroocta-2,4,6-trien-4-yl]amino]-2H-isoquinolin-1-one Traditional Name: 3-[[(1E,3Z)-3-nitro-1-[(E)-prop-1-enyl]penta-1,3-dienyl]amino]isocarbostyril Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=CC(=CC)[N+](=O)[O-])NC1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

C/C=C/C(=C\C(=C\C)\[N+](=O)[O-])/NC1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H17N3O3/c1-3-7-13(11-14(4-2)20(22)23)18-16-10-12-8-5-6-9-15(12)17(21)19-16/h3-11H,1-2H3,(H2,18,19,21)/b7-3+,13-11+,14-4-