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

Systemtic Name: 4-[[6-[2-(2-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(2-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[[(2-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(2-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[N'-(2-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H13ClN6O5 MolecularWeight: 428.78602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C18H13ClN6O5/c19-13-4-2-1-3-12(13)17(26)24-23-16-14(25(29)30)15(20-9-21-16)22-11-7-5-10(6-8-11)18(27)28/h1-9H,(H,24,26)(H,27,28)(H2,20,21,22,23)