4-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-[2-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[(1-oxo-2,2-diphenylethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-[N'-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C25H20N6O5 MolecularWeight: 484.4635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H20N6O5/c32-24(20(16-7-3-1-4-8-16)17-9-5-2-6-10-17)30-29-23-21(31(35)36)22(26-15-27-23)28-19-13-11-18(12-14-19)25(33)34/h1-15,20H,(H,30,32)(H,33,34)(H2,26,27,28,29)