(3-cyanophenyl)methyl 3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: (3-cyanophenyl)methyl 3-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: (3-cyanophenyl)methyl 3-[(4-chloro-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-[(4-chloro-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chloro-3-nitro-phenyl)sulfonylamino]propionic acid (3-cyanobenzyl) ester Formula: C17H14ClN3O6S MolecularWeight: 423.82756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14ClN3O6S/c18-15-5-4-14(9-16(15)21(23)24)28(25,26)20-7-6-17(22)27-11-13-3-1-2-12(8-13)10-19/h1-5,8-9,20H,6-7,11H2