aminocarbonyl-[4-(4,6-dinitropyridin-3-yl)oxyphenyl]-methyl-prop-2-ynyl-azanium

Systemtic Name: aminocarbonyl-[4-(4,6-dinitropyridin-3-yl)oxyphenyl]-methyl-prop-2-ynyl-azanium Openeye Name: carbamoyl-[4-[(4,6-dinitro-3-pyridyl)oxy]phenyl]-methyl-prop-2-ynyl-ammonium CAS Name: carbamoyl-[4-[(4,6-dinitro-3-pyridinyl)oxy]phenyl]-methyl-prop-2-ynylammonium IUPAC Name: carbamoyl-[4-(4,6-dinitropyridin-3-yl)oxyphenyl]-methyl-prop-2-ynylazanium Traditional Name: carbamoyl-[4-[(4,6-dinitro-3-pyridyl)oxy]phenyl]-methyl-propargyl-ammonium Formula: C16H14N5O6+ MolecularWeight: 372.31226

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC#C)(C1=CC=C(C=C1)OC2=CN=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C[N+](CC#C)(C1=CC=C(C=C1)OC2=CN=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H13N5O6/c1-3-8-21(2,16(17)22)11-4-6-12(7-5-11)27-14-10-18-15(20(25)26)9-13(14)19(23)24/h1,4-7,9-10H,8H2,2H3,(H-,17,22)/p+1