ethyl 4-[[6-(2,2-diphenylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(2,2-diphenylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(2,2-diphenylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2,2-diphenylhydrazinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N',N'-diphenylhydrazino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C25H22N6O4 MolecularWeight: 470.47998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O4/c1-2-35-25(32)18-13-15-19(16-14-18)28-23-22(31(33)34)24(27-17-26-23)29-30(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-17H,2H2,1H3,(H2,26,27,28,29)