methyl 4-[4-chloranyl-2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]phenoxy]benzoate

Systemtic Name: methyl 4-[4-chloranyl-2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]phenoxy]benzoate Openeye Name: methyl 4-[4-chloro-2-[(3-nitro-4-phenylsulfanyl-benzoyl)amino]phenoxy]benzoate CAS Name: 4-[4-chloro-2-[[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]amino]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-chloro-2-[(3-nitro-4-phenylsulfanylbenzoyl)amino]phenoxy]benzoate Traditional Name: 4-[4-chloro-2-[[3-nitro-4-(phenylthio)benzoyl]amino]phenoxy]benzoic acid methyl ester Formula: C27H19ClN2O6S MolecularWeight: 534.96756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H19ClN2O6S/c1-35-27(32)17-7-11-20(12-8-17)36-24-13-10-19(28)16-22(24)29-26(31)18-9-14-25(23(15-18)30(33)34)37-21-5-3-2-4-6-21/h2-16H,1H3,(H,29,31)