7-[2-(3-nitro-1,2,4-triazol-1-yl)ethoxy]chromen-2-one

Systemtic Name: 7-[2-(3-nitro-1,2,4-triazol-1-yl)ethoxy]chromen-2-one Openeye Name: 7-[2-(3-nitro-1,2,4-triazol-1-yl)ethoxy]chromen-2-one CAS Name: 7-[2-(3-nitro-1,2,4-triazol-1-yl)ethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-(3-nitro-1,2,4-triazol-1-yl)ethoxy]chromen-2-one Traditional Name: 7-[2-(3-nitro-1,2,4-triazol-1-yl)ethoxy]coumarin Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)OCCN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OCCN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O5/c18-12-4-2-9-1-3-10(7-11(9)22-12)21-6-5-16-8-14-13(15-16)17(19)20/h1-4,7-8H,5-6H2