(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)C

InChI

InChI=1S/C20H16N4O4/c1-12-7-17-15(9-19(25)28-18(17)8-13(12)2)10-27-20(26)14-3-5-16(6-4-14)24-11-21-22-23-24/h3-9,11H,10H2,1-2H3