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

Systemtic Name: 4-butyl-7-methyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Openeye Name: 4-butyl-7-methyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one CAS Name: 4-butyl-7-methyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-7-methyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Traditional Name: 4-butyl-7-methyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)coumarin Formula: C16H17N4O3- MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC3=NN=N[N-]3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC3=NN=N[N-]3

InChI

InChI=1S/C16H17N4O3/c1-3-4-5-11-8-15(21)23-13-7-10(2)6-12(16(11)13)22-9-14-17-19-20-18-14/h6-8H,3-5,9H2,1-2H3/q-1