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

Systemtic Name: 2-methylpropyl 4-[[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H20N6O6 MolecularWeight: 440.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O6/c1-12(2)10-32-20(28)13-5-7-14(8-6-13)23-17-16(26(29)30)18(22-11-21-17)24-25-19(27)15-4-3-9-31-15/h3-9,11-12H,10H2,1-2H3,(H,25,27)(H2,21,22,23,24)