(phenylmethyl) 2-(2-azanyl-6-nitro-phenyl)-2-phenylsulfanyl-pentanoate

Systemtic Name: (phenylmethyl) 2-(2-azanyl-6-nitro-phenyl)-2-phenylsulfanyl-pentanoate Openeye Name: benzyl 2-(2-amino-6-nitro-phenyl)-2-phenylsulfanyl-pentanoate CAS Name: 2-(2-amino-6-nitrophenyl)-2-(phenylthio)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-amino-6-nitrophenyl)-2-phenylsulfanylpentanoate Traditional Name: 2-(2-amino-6-nitro-phenyl)-2-(phenylthio)valeric acid benzyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4S/c1-2-16-24(31-19-12-7-4-8-13-19,22-20(25)14-9-15-21(22)26(28)29)23(27)30-17-18-10-5-3-6-11-18/h3-15H,2,16-17,25H2,1H3