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

Systemtic Name: 2-methylpropyl 3-[5-[(E)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylhydrazinylidene)methyl]furan-2-yl]benzoate Openeye Name: isobutyl 3-[5-[(E)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylhydrazono)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylhydrazinylidene)methyl]-2-furanyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[5-[(E)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylhydrazinylidene)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylhydrazono)methyl]-2-furyl]benzoic acid isobutyl ester Formula: C17H17N6O3- MolecularWeight: 353.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=NNC3=NN=N[N-]3

Isomeric SMILES

CC(C)COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=N/NC3=NN=N[N-]3

InChI

InChI=1S/C17H17N6O3/c1-11(2)10-25-16(24)13-5-3-4-12(8-13)15-7-6-14(26-15)9-18-19-17-20-22-23-21-17/h3-9,11H,10H2,1-2H3,(H-,19,20,21,22,23)/q-1/b18-9+