methyl 2-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzoyl]amino]acetic acid methyl ester Formula: C16H15N3O8S MolecularWeight: 409.3706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O8S/c1-27-15(21)9-17-16(22)10-2-4-11(5-3-10)18-28(25,26)12-6-7-14(20)13(8-12)19(23)24/h2-8,18,20H,9H2,1H3,(H,17,22)