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

Systemtic Name: methyl 2-[[6-[2-(furan-2-ylcarbonyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[2-(furan-2-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[[2-furanyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[2-(furan-2-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[N'-(2-furoyl)hydrazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C18H16N6O6 MolecularWeight: 412.35624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CO3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H16N6O6/c1-23(12-7-4-3-6-11(12)18(26)29-2)16-14(24(27)28)15(19-10-20-16)21-22-17(25)13-8-5-9-30-13/h3-10H,1-2H3,(H,22,25)(H,19,20,21)