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

Systemtic Name: 4-[[6-[2-(4-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[[(4-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[N'-(4-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(=CC=C1C(=O)O)NC2=C(C(=NC=N2)NNC(=O)C3=CC=C(C=C3)Cl)[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-]

InChI

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