4-[(1S)-2-azaniumyl-1-[(4-hydroxyphenyl)-methyl-amino]ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[(4-hydroxyphenyl)-methyl-amino]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(4-hydroxy-N-methyl-anilino)ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(4-hydroxy-N-methylanilino)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(4-hydroxy-N-methylanilino)ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(4-hydroxy-N-methyl-anilino)ethyl]-2-nitro-phenolate Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)O)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=C(C=C1)O)[C@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-17(11-3-5-12(19)6-4-11)14(9-16)10-2-7-15(20)13(8-10)18(21)22/h2-8,14,19-20H,9,16H2,1H3/t14-/m1/s1