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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (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 (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (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 (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C19H13N5O7S MolecularWeight: 455.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O7S/c1-23-19(20-21-22-23)32-16-5-2-10(6-14(16)24(28)29)18(27)30-9-11-7-17(26)31-15-8-12(25)3-4-13(11)15/h2-8,25H,9H2,1H3