(3-isothiocyanatophenyl) 4-nitrobenzoate

Systemtic Name: (3-isothiocyanatophenyl) 4-nitrobenzoate Openeye Name: (3-isothiocyanatophenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-isothiocyanatophenyl) ester IUPAC Name: (3-isothiocyanatophenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-isothiocyanatophenyl) ester Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=C=S

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=C=S

InChI

InChI=1S/C14H8N2O4S/c17-14(10-4-6-12(7-5-10)16(18)19)20-13-3-1-2-11(8-13)15-9-21/h1-8H