methyl 4-[[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[2-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H14ClN7O7 MolecularWeight: 487.81016

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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(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN7O7/c1-34-19(29)10-2-5-12(6-3-10)23-16-15(27(32)33)17(22-9-21-16)24-25-18(28)11-4-7-13(20)14(8-11)26(30)31/h2-9H,1H3,(H,25,28)(H2,21,22,23,24)