ethyl 4-[(4-aminophenyl)sulfanylmethyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(4-aminophenyl)sulfanylmethyl]-3-nitro-benzoate Openeye Name: ethyl 4-[(4-aminophenyl)sulfanylmethyl]-3-nitro-benzoate CAS Name: 4-[[(4-aminophenyl)thio]methyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-aminophenyl)sulfanylmethyl]-3-nitrobenzoate Traditional Name: 4-[[(4-aminophenyl)thio]methyl]-3-nitro-benzoic acid ethyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CSC2=CC=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-2-22-16(19)11-3-4-12(15(9-11)18(20)21)10-23-14-7-5-13(17)6-8-14/h3-9H,2,10,17H2,1H3