ethanedioic acid; 2-methoxy-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-aniline

Systemtic Name: ethanedioic acid; 2-methoxy-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-aniline Openeye Name: 2-methoxy-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-aniline; oxalic acid CAS Name: 2-methoxy-N-[[4-(methylthio)phenyl]methyl]-5-nitroaniline; oxalic acid IUPAC Name: 2-methoxy-N-[(4-methylsulfanylphenyl)methyl]-5-nitroaniline; oxalic acid Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(methylthio)benzyl]amine; oxalic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)SC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N2O3S.C2H2O4/c1-20-15-8-5-12(17(18)19)9-14(15)16-10-11-3-6-13(21-2)7-4-11;3-1(4)2(5)6/h3-9,16H,10H2,1-2H3;(H,3,4)(H,5,6)