3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitro-chromen-2-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitro-chromen-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitro-chromen-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitrochromen-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-8-ethoxy-6-nitro-coumarin Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=C2C(=CC(=C1)[N+](=O)[O-])C=C(C(=O)O2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H13N3O5/c1-2-25-15-9-11(21(23)24)7-10-8-12(18(22)26-16(10)15)17-19-13-5-3-4-6-14(13)20-17/h3-9H,2H2,1H3,(H,19,20)