(4-cyanophenyl)methyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoate Openeye Name: (4-cyanophenyl)methyl 3-(2-nitro-4-sulfamoyl-anilino)propanoate CAS Name: 3-(2-nitro-4-sulfamoylanilino)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(2-nitro-4-sulfamoylanilino)propanoate Traditional Name: 3-(2-nitro-4-sulfamoyl-anilino)propionic acid (4-cyanobenzyl) ester Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H16N4O6S/c18-10-12-1-3-13(4-2-12)11-27-17(22)7-8-20-15-6-5-14(28(19,25)26)9-16(15)21(23)24/h1-6,9,20H,7-8,11H2,(H2,19,25,26)