(E)-4-[4-[(3-nitrophenyl)methoxycarbonylamino]phenyl]-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-4-[4-[(3-nitrophenyl)methoxycarbonylamino]phenyl]-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-4-[4-[(3-nitrophenyl)methoxycarbonylamino]phenyl]but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-4-[4-[[(3-nitrophenyl)methoxy-oxomethyl]amino]phenyl]-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-4-[4-[(3-nitrophenyl)methoxycarbonylamino]phenyl]but-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-4-[4-[(3-nitrobenzyl)oxycarbonylamino]phenyl]but-1-ene-1-diazonium Formula: C18H17N4O5+ MolecularWeight: 369.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)NC2=CC=C(C=C2)CCC(=C[N+]#N)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)NC2=CC=C(C=C2)CC/C(=C\[N+]#N)/O

InChI

InChI=1S/C18H16N4O5/c19-20-11-17(23)9-6-13-4-7-15(8-5-13)21-18(24)27-12-14-2-1-3-16(10-14)22(25)26/h1-5,7-8,10-11H,6,9,12H2,(H-,21,23,24)/p+1/b17-11+