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

Systemtic Name: ethyl 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-2-29-19(26)13-8-10-14(11-9-13)22-17-16(25(27)28)18(21-12-20-17)24-23-15-6-4-3-5-7-15/h3-12,23H,2H2,1H3,(H2,20,21,22,24)