(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H17N5O7S MolecularWeight: 483.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=NN=NN4C)[N+](=O)[O-])O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)SC4=NN=NN4C)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N5O7S/c1-3-11-6-14-13(8-19(28)33-17(14)9-16(11)27)10-32-20(29)12-4-5-18(15(7-12)26(30)31)34-21-22-23-24-25(21)2/h4-9,27H,3,10H2,1-2H3