[6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)-2-methyl-oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [6-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)-2-methyl-oxan-3-yl] 4-nitrobenzoate Openeye Name: [6-(4-ethoxy-2-oxo-pyrimidin-1-yl)-2-methyl-tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-(4-ethoxy-2-oxo-1-pyrimidinyl)-2-methyl-3-oxanyl] ester IUPAC Name: [6-(4-ethoxy-2-oxopyrimidin-1-yl)-2-methyloxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-(4-ethoxy-2-keto-pyrimidin-1-yl)-2-methyl-tetrahydropyran-3-yl] ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=O)N(C=C1)C2CCC(C(O2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC(=O)N(C=C1)C2CCC(C(O2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7/c1-3-27-16-10-11-21(19(24)20-16)17-9-8-15(12(2)28-17)29-18(23)13-4-6-14(7-5-13)22(25)26/h4-7,10-12,15,17H,3,8-9H2,1-2H3