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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O4/c1-14(2)12-31-21(28)15-8-10-16(11-9-15)24-19-18(27(29)30)20(23-13-22-19)26-25-17-6-4-3-5-7-17/h3-11,13-14,25H,12H2,1-2H3,(H2,22,23,24,26)