[4-[[(4-nitrophenyl)amino]methyl]phenyl] sulfamate

Systemtic Name: [4-[[(4-nitrophenyl)amino]methyl]phenyl] sulfamate Openeye Name: [4-[(4-nitroanilino)methyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[(4-nitroanilino)methyl]phenyl] ester IUPAC Name: [4-[(4-nitroanilino)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(4-nitroanilino)methyl]phenyl] ester Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)N

InChI

InChI=1S/C13H13N3O5S/c14-22(19,20)21-13-7-1-10(2-8-13)9-15-11-3-5-12(6-4-11)16(17)18/h1-8,15H,9H2,(H2,14,19,20)