(phenylmethyl) 3-azanyl-2-nitro-quinoline-4-sulfonate

Systemtic Name: (phenylmethyl) 3-azanyl-2-nitro-quinoline-4-sulfonate Openeye Name: benzyl 3-amino-2-nitro-quinoline-4-sulfonate CAS Name: 3-amino-2-nitro-4-quinolinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-2-nitroquinoline-4-sulfonate Traditional Name: 3-amino-2-nitro-quinoline-4-sulfonic acid benzyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COS(=O)(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COS(=O)(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

InChI=1S/C16H13N3O5S/c17-14-15(25(22,23)24-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-16(14)19(20)21/h1-9H,10,17H2