methyl 4-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenoxy]methyl]benzoic acid methyl ester Formula: C16H13N4O3- MolecularWeight: 309.29942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=N[N-]3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=N[N-]3

InChI

InChI=1S/C16H13N4O3/c1-22-16(21)13-4-2-11(3-5-13)10-23-14-8-6-12(7-9-14)15-17-19-20-18-15/h2-9H,10H2,1H3/q-1