methyl 2-[[6-[2-(4-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[2-(4-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[2-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[[(4-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[N'-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C20H17ClN6O5 MolecularWeight: 456.83918

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6O5/c1-26(15-6-4-3-5-14(15)20(29)32-2)18-16(27(30)31)17(22-11-23-18)24-25-19(28)12-7-9-13(21)10-8-12/h3-11H,1-2H3,(H,25,28)(H,22,23,24)