(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O4/c1-3-12-26-18(23-24-25-26)13-29-22(28)17-11-7-10-16-19(27)14(2)20(30-21(16)17)15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3