3-hexyl-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one

Systemtic Name: 3-hexyl-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Openeye Name: 3-hexyl-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one CAS Name: 3-hexyl-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 3-hexyl-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Traditional Name: 3-hexyl-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)coumarin Formula: C18H21N4O3- MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC3=NN=N[N-]3)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC3=NN=N[N-]3)OC1=O)C

InChI

InChI=1S/C18H21N4O3/c1-3-4-5-6-7-15-12(2)14-9-8-13(10-16(14)25-18(15)23)24-11-17-19-21-22-20-17/h8-10H,3-7,11H2,1-2H3/q-1