2-[3-(2-azanylpropan-2-yl)-4-phenylmethoxy-phenyl]-1-nitro-guanidine

Systemtic Name: 2-[3-(2-azanylpropan-2-yl)-4-phenylmethoxy-phenyl]-1-nitro-guanidine Openeye Name: 2-[3-(1-amino-1-methyl-ethyl)-4-benzyloxy-phenyl]-1-nitro-guanidine CAS Name: 2-[3-(2-aminopropan-2-yl)-4-phenylmethoxyphenyl]-1-nitroguanidine IUPAC Name: 2-[3-(2-aminopropan-2-yl)-4-phenylmethoxyphenyl]-1-nitroguanidine Traditional Name: 2-[3-(1-amino-1-methyl-ethyl)-4-benzoxy-phenyl]-1-nitro-guanidine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=CC(=C1)N=C(N)N[N+](=O)[O-])OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C1=C(C=CC(=C1)N=C(N)N[N+](=O)[O-])OCC2=CC=CC=C2)N

InChI

InChI=1S/C17H21N5O3/c1-17(2,19)14-10-13(20-16(18)21-22(23)24)8-9-15(14)25-11-12-6-4-3-5-7-12/h3-10H,11,19H2,1-2H3,(H3,18,20,21)