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

Systemtic Name: 4-[[6-[2-(4-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(4-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[[(4-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(4-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-(N'-p-toluoylhydrazino)pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N6O5 MolecularWeight: 408.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N6O5/c1-11-2-4-12(5-3-11)18(26)24-23-17-15(25(29)30)16(20-10-21-17)22-14-8-6-13(7-9-14)19(27)28/h2-10H,1H3,(H,24,26)(H,27,28)(H2,20,21,22,23)