methyl 4-[[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[2-(furan-2-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[2-furanyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(2-furoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C17H14N6O6 MolecularWeight: 398.32966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O6/c1-28-17(25)10-4-6-11(7-5-10)20-14-13(23(26)27)15(19-9-18-14)21-22-16(24)12-3-2-8-29-12/h2-9H,1H3,(H,22,24)(H2,18,19,20,21)