[(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoate

Systemtic Name: [(3R)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoate Openeye Name: [(3R)-4-amino-3-cyano-2-oxo-pent-4-enyl] 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzoate CAS Name: 5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzoic acid [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3R)-4-amino-3-cyano-2-oxopent-4-enyl] 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoate Traditional Name: 5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzoic acid [(3R)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C20H15N7O5S MolecularWeight: 465.442

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=NN2C3=CC=CC=C3)N

Isomeric SMILES

C=C([C@H](C#N)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=NN2C3=CC=CC=C3)N

InChI

InChI=1S/C20H15N7O5S/c1-12(22)16(10-21)17(28)11-32-19(29)15-9-14(27(30)31)7-8-18(15)33-20-23-24-25-26(20)13-5-3-2-4-6-13/h2-9,16H,1,11,22H2/t16-/m0/s1