(4-nitrophenyl) 2-isothiocyanatobenzoate

Systemtic Name: (4-nitrophenyl) 2-isothiocyanatobenzoate Openeye Name: (4-nitrophenyl) 2-isothiocyanatobenzoate CAS Name: 2-isothiocyanatobenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-isothiocyanatobenzoate Traditional Name: 2-isothiocyanatobenzoic acid (4-nitrophenyl) ester Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C=S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C=S

InChI

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