[2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [2-(2-azanyl-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 3-nitrobenzoate Openeye Name: [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] ester IUPAC Name: [2-(2-amino-3-cyano-4H-[1]benzothiolo[3,2-b]pyran-4-yl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-amino-3-cyano-4H-benzothiopheno[3,2-b]pyran-4-yl)phenyl] ester Formula: C25H15N3O5S MolecularWeight: 469.4687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2C(=C(OC3=C2SC4=CC=CC=C43)N)C#N)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H15N3O5S/c26-13-18-21(23-22(33-24(18)27)17-9-2-4-11-20(17)34-23)16-8-1-3-10-19(16)32-25(29)14-6-5-7-15(12-14)28(30)31/h1-12,21H,27H2