2-[4-[(4-azanyl-3-methyl-phenyl)amino]-3-nitro-phenyl]sulfonylethanol

Systemtic Name: 2-[4-[(4-azanyl-3-methyl-phenyl)amino]-3-nitro-phenyl]sulfonylethanol Openeye Name: 2-[4-(4-amino-3-methyl-anilino)-3-nitro-phenyl]sulfonylethanol CAS Name: 2-[4-(4-amino-3-methylanilino)-3-nitrophenyl]sulfonylethanol IUPAC Name: 2-[4-(4-amino-3-methylanilino)-3-nitrophenyl]sulfonylethanol Traditional Name: 2-[4-(4-amino-3-methyl-anilino)-3-nitro-phenyl]sulfonylethanol Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)CCO)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)CCO)[N+](=O)[O-])N

InChI

InChI=1S/C15H17N3O5S/c1-10-8-11(2-4-13(10)16)17-14-5-3-12(9-15(14)18(20)21)24(22,23)7-6-19/h2-5,8-9,17,19H,6-7,16H2,1H3