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

Systemtic Name: 2-[3-(1-azanylethyl)-4-phenylmethoxy-phenyl]-1-nitro-guanidine Openeye Name: 2-[3-(1-aminoethyl)-4-benzyloxy-phenyl]-1-nitro-guanidine CAS Name: 2-[3-(1-aminoethyl)-4-phenylmethoxyphenyl]-1-nitroguanidine IUPAC Name: 2-[3-(1-aminoethyl)-4-phenylmethoxyphenyl]-1-nitroguanidine Traditional Name: 2-[3-(1-aminoethyl)-4-benzoxy-phenyl]-1-nitro-guanidine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-11(17)14-9-13(19-16(18)20-21(22)23)7-8-15(14)24-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3,(H3,18,19,20)