(E)-4-methoxy-4-oxidanylidene-3-phenanthridin-5-ium-5-yl-but-2-enoate

Systemtic Name: (E)-4-methoxy-4-oxidanylidene-3-phenanthridin-5-ium-5-yl-but-2-enoate Openeye Name: (E)-4-methoxy-4-oxo-3-phenanthridin-5-ium-5-yl-but-2-enoate CAS Name: (E)-4-methoxy-4-oxo-3-(5-phenanthridin-5-iumyl)-2-butenoate IUPAC Name: (E)-4-methoxy-4-oxo-3-phenanthridin-5-ium-5-ylbut-2-enoate Traditional Name: (E)-4-keto-4-methoxy-3-phenanthridin-5-ium-5-yl-but-2-enoate Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)[O-])[N+]1=CC2=CC=CC=C2C3=CC=CC=C31

Isomeric SMILES

COC(=O)/C(=C\C(=O)[O-])/[N+]1=CC2=CC=CC=C2C3=CC=CC=C31

InChI

InChI=1S/C18H13NO4/c1-23-18(22)16(10-17(20)21)19-11-12-6-2-3-7-13(12)14-8-4-5-9-15(14)19/h2-11H,1H3/b16-10+