2-(2-methyl-1-propyl-pyrazol-1-ium-3-yl)oxy-4-nitro-aniline

Systemtic Name: 2-(2-methyl-1-propyl-pyrazol-1-ium-3-yl)oxy-4-nitro-aniline Openeye Name: 2-(2-methyl-1-propyl-pyrazol-1-ium-3-yl)oxy-4-nitro-aniline CAS Name: 2-[(2-methyl-1-propyl-3-pyrazol-1-iumyl)oxy]-4-nitroaniline IUPAC Name: 2-(2-methyl-1-propylpyrazol-1-ium-3-yl)oxy-4-nitroaniline Traditional Name: [2-(2-methyl-1-propyl-pyrazol-1-ium-3-yl)oxy-4-nitro-phenyl]amine Formula: C13H17N4O3+ MolecularWeight: 277.29908

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(N1C)OC2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCC[N+]1=CC=C(N1C)OC2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H17N4O3/c1-3-7-16-8-6-13(15(16)2)20-12-9-10(17(18)19)4-5-11(12)14/h4-6,8-9H,3,7,14H2,1-2H3/q+1