[4-(4-nitrophenyl)sulfanylphenyl]methyl 3-acetamidobenzoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 3-acetamidobenzoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 3-acetamidobenzoate Traditional Name: 3-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=CC(=C1)C(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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