[4-(4-nitrophenyl)sulfanylphenyl]methyl 4-acetamidobenzoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 4-acetamidobenzoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5S/c1-15(25)23-18-6-4-17(5-7-18)22(26)29-14-16-2-10-20(11-3-16)30-21-12-8-19(9-13-21)24(27)28/h2-13H,14H2,1H3,(H,23,25)