diethylazanium; (4-nitrophenyl)-phenylazanyl-methanesulfonate

Systemtic Name: diethylazanium; (4-nitrophenyl)-phenylazanyl-methanesulfonate Openeye Name: anilino-(4-nitrophenyl)methanesulfonate; diethylammonium CAS Name: anilino-(4-nitrophenyl)methanesulfonate; diethylammonium IUPAC Name: anilino-(4-nitrophenyl)methanesulfonate; diethylazanium Traditional Name: anilino-(4-nitrophenyl)methanesulfonate; diethylammonium Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC.C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

CC[NH2+]CC.C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N2O5S.C4H11N/c16-15(17)12-8-6-10(7-9-12)13(21(18,19)20)14-11-4-2-1-3-5-11;1-3-5-4-2/h1-9,13-14H,(H,18,19,20);5H,3-4H2,1-2H3