3-[4-methyl-2-oxidanylidene-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate

Systemtic Name: 3-[4-methyl-2-oxidanylidene-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate Openeye Name: 3-[4-methyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate CAS Name: 3-[4-methyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)-1-benzopyran-3-yl]propanoate IUPAC Name: 3-[4-methyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate Traditional Name: 3-[2-keto-4-methyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propionate Formula: C15H12N4O5-2 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NN=N[N-]3)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NN=N[N-]3)CCC(=O)[O-]

InChI

InChI=1S/C15H14N4O5/c1-8-10-3-2-9(23-7-13-16-18-19-17-13)6-12(10)24-15(22)11(8)4-5-14(20)21/h2-3,6H,4-5,7H2,1H3,(H2,16,17,18,19,20,21)/p-2