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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H13ClN4O4 MolecularWeight: 396.78392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=NN=N4)Cl

InChI

InChI=1S/C19H13ClN4O4/c1-11-6-17-15(8-16(11)20)13(7-18(25)28-17)9-27-19(26)12-2-4-14(5-3-12)24-10-21-22-23-24/h2-8,10H,9H2,1H3