4-[[6-(2-naphthalen-1-ylcarbonylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2-naphthalen-1-ylcarbonylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(naphthalene-1-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-[[1-naphthalenyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[N'-(1-naphthoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C22H16N6O5 MolecularWeight: 444.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N6O5/c29-21(17-7-3-5-13-4-1-2-6-16(13)17)27-26-20-18(28(32)33)19(23-12-24-20)25-15-10-8-14(9-11-15)22(30)31/h1-12H,(H,27,29)(H,30,31)(H2,23,24,25,26)