N-[(3-chloranyl-4,5-diethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine

Systemtic Name: N-[(3-chloranyl-4,5-diethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Openeye Name: N-[(3-chloro-4,5-diethoxy-phenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine CAS Name: N-[(3-chloro-4,5-diethoxyphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine IUPAC Name: N-[(3-chloro-4,5-diethoxyphenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine Traditional Name: (3-chloro-4,5-diethoxy-benzyl)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)amine Formula: C12H15ClN5O2- MolecularWeight: 296.7328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=NN=N[N-]2)Cl)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=NN=N[N-]2)Cl)OCC

InChI

InChI=1S/C12H15ClN5O2/c1-3-19-10-6-8(5-9(13)11(10)20-4-2)7-14-12-15-17-18-16-12/h5-6H,3-4,7H2,1-2H3,(H-,14,15,16,17,18)/q-1