8-methoxy-6-nitro-3-[(2-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)carbonyl]chromen-2-one

Systemtic Name: 8-methoxy-6-nitro-3-[(2-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)carbonyl]chromen-2-one Openeye Name: 8-methoxy-6-nitro-3-(2-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbonyl)chromen-2-one CAS Name: 8-methoxy-6-nitro-3-[oxo-(2-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)methyl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-6-nitro-3-(2-phenyl-4,5-dihydro-1H-imidazol-3-ium-3-carbonyl)chromen-2-one Traditional Name: 8-methoxy-6-nitro-3-(2-phenyl-2-imidazolin-1-ium-1-carbonyl)coumarin Formula: C20H16N3O6+ MolecularWeight: 394.35754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)[N+]3=C(NCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C(=O)[N+]3=C(NCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O6/c1-28-16-11-14(23(26)27)9-13-10-15(20(25)29-17(13)16)19(24)22-8-7-21-18(22)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3/p+1