2-[(4-azanyl-3-ethyl-phenyl)amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(4-azanyl-3-ethyl-phenyl)amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-(4-amino-3-ethyl-anilino)-5-nitro-benzenesulfonic acid CAS Name: 2-(4-amino-3-ethylanilino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(4-amino-3-ethylanilino)-5-nitrobenzenesulfonic acid Traditional Name: 2-(4-amino-3-ethyl-anilino)-5-nitro-besylic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)N

InChI

InChI=1S/C14H15N3O5S/c1-2-9-7-10(3-5-12(9)15)16-13-6-4-11(17(18)19)8-14(13)23(20,21)22/h3-8,16H,2,15H2,1H3,(H,20,21,22)