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

Systemtic Name: ethyl 4-[[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H16ClN7O7 MolecularWeight: 501.83674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C20H16ClN7O7/c1-2-35-20(30)11-3-6-13(7-4-11)24-17-16(28(33)34)18(23-10-22-17)25-26-19(29)12-5-8-14(21)15(9-12)27(31)32/h3-10H,2H2,1H3,(H,26,29)(H2,22,23,24,25)