2-methylpropyl 4-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]benzoate Openeye Name: isobutyl 4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoate CAS Name: 4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]benzoate Traditional Name: 4-[(4-keto-5-nitro-1H-pyrimidin-6-yl)amino]benzoic acid isobutyl ester Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5/c1-9(2)7-24-15(21)10-3-5-11(6-4-10)18-13-12(19(22)23)14(20)17-8-16-13/h3-6,8-9H,7H2,1-2H3,(H2,16,17,18,20)