2-[3-(aminomethyl)-4-methoxy-phenyl]-1-nitro-guanidine

Systemtic Name: 2-[3-(aminomethyl)-4-methoxy-phenyl]-1-nitro-guanidine Openeye Name: 2-[3-(aminomethyl)-4-methoxy-phenyl]-1-nitro-guanidine CAS Name: 2-[3-(aminomethyl)-4-methoxyphenyl]-1-nitroguanidine IUPAC Name: 2-[3-(aminomethyl)-4-methoxyphenyl]-1-nitroguanidine Traditional Name: 2-[3-(aminomethyl)-4-methoxy-phenyl]-1-nitro-guanidine Formula: C9H13N5O3 MolecularWeight: 239.23122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N=C(N)N[N+](=O)[O-])CN

Isomeric SMILES

COC1=C(C=C(C=C1)N=C(N)N[N+](=O)[O-])CN

InChI

InChI=1S/C9H13N5O3/c1-17-8-3-2-7(4-6(8)5-10)12-9(11)13-14(15)16/h2-4H,5,10H2,1H3,(H3,11,12,13)