[3-(2-nitroethanoylamino)phenyl] benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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