3-[4,8-dimethyl-2-oxidanylidene-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate

Systemtic Name: 3-[4,8-dimethyl-2-oxidanylidene-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate Openeye Name: 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate CAS Name: 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)-1-benzopyran-3-yl]propanoate IUPAC Name: 3-[4,8-dimethyl-2-oxo-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propanoate Traditional Name: 3-[2-keto-4,8-dimethyl-7-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-3-yl]propionate Formula: C16H14N4O5-2 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NN=N[N-]3)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=NN=N[N-]3)CCC(=O)[O-]

InChI

InChI=1S/C16H16N4O5/c1-8-10-3-5-12(24-7-13-17-19-20-18-13)9(2)15(10)25-16(23)11(8)4-6-14(21)22/h3,5H,4,6-7H2,1-2H3,(H2,17,18,19,20,21,22)/p-2