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

Systemtic Name: 4-[[6-[2-(4-chloranyl-3-nitro-phenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(4-chloro-3-nitrobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[N'-(4-chloro-3-nitro-benzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H12ClN7O7 MolecularWeight: 473.78358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12ClN7O7/c19-12-6-3-10(7-13(12)25(30)31)17(27)24-23-16-14(26(32)33)15(20-8-21-16)22-11-4-1-9(2-5-11)18(28)29/h1-8H,(H,24,27)(H,28,29)(H2,20,21,22,23)