4-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)butyl 4-nitrobenzoate

Systemtic Name: 4-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)butyl 4-nitrobenzoate Openeye Name: 4-(4-acetamido-2-oxo-pyrimidin-1-yl)butyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-(4-acetamido-2-oxo-1-pyrimidinyl)butyl ester IUPAC Name: 4-(4-acetamido-2-oxopyrimidin-1-yl)butyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-(4-acetamido-2-keto-pyrimidin-1-yl)butyl ester Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)N(C=C1)CCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=O)N(C=C1)CCCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6/c1-12(22)18-15-8-10-20(17(24)19-15)9-2-3-11-27-16(23)13-4-6-14(7-5-13)21(25)26/h4-8,10H,2-3,9,11H2,1H3,(H,18,19,22,24)