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

Systemtic Name: methyl 4-[5-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylamino)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylamino)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylamino)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylamino)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylamino)methyl]-2-furyl]benzoic acid methyl ester Formula: C14H12N5O3- MolecularWeight: 298.27678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC3=NN=N[N-]3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC3=NN=N[N-]3

InChI

InChI=1S/C14H12N5O3/c1-21-13(20)10-4-2-9(3-5-10)12-7-6-11(22-12)8-15-14-16-18-19-17-14/h2-7H,8H2,1H3,(H-,15,16,17,18,19)/q-1