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

Systemtic Name: ethyl 4-[(4-aminophenyl)sulfinylmethyl]-3-nitro-benzoate Openeye Name: ethyl 4-[(4-aminophenyl)sulfinylmethyl]-3-nitro-benzoate CAS Name: 4-[(4-aminophenyl)sulfinylmethyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-aminophenyl)sulfinylmethyl]-3-nitrobenzoate Traditional Name: 4-[(4-aminophenyl)sulfinylmethyl]-3-nitro-benzoic acid ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-2-23-16(19)11-3-4-12(15(9-11)18(20)21)10-24(22)14-7-5-13(17)6-8-14/h3-9H,2,10,17H2,1H3