phenyl 3-(2-nitroethanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-(2-nitroethanoylamino)benzenesulfonate Openeye Name: phenyl 3-[(2-nitroacetyl)amino]benzenesulfonate CAS Name: 3-[(2-nitro-1-oxoethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[(2-nitroacetyl)amino]benzenesulfonate Traditional Name: 3-[(2-nitroacetyl)amino]benzenesulfonic acid phenyl ester Formula: C14H12N2O6S MolecularWeight: 336.31988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c17-14(10-16(18)19)15-11-5-4-8-13(9-11)23(20,21)22-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,17)