hydroxymethyl propanoate; 3-[(5-nitrofuran-2-yl)methylideneamino]-1,6-dihydropyrimidin-2-one

Systemtic Name: hydroxymethyl propanoate; 3-[(5-nitrofuran-2-yl)methylideneamino]-1,6-dihydropyrimidin-2-one Openeye Name: hydroxymethyl propanoate; 3-[(5-nitro-2-furyl)methyleneamino]-1,6-dihydropyrimidin-2-one CAS Name: 3-[(5-nitro-2-furanyl)methylideneamino]-1,6-dihydropyrimidin-2-one; propanoic acid hydroxymethyl ester IUPAC Name: hydroxymethyl propanoate; 3-[(5-nitrofuran-2-yl)methylideneamino]-1,6-dihydropyrimidin-2-one Traditional Name: 3-[(5-nitro-2-furyl)methyleneamino]-1,6-dihydropyrimidin-2-one; propionic acid methylol ester Formula: C13H16N4O7 MolecularWeight: 340.28874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCO.C1C=CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCO.C1C=CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C9H8N4O4.C4H8O3/c14-9-10-4-1-5-12(9)11-6-7-2-3-8(17-7)13(15)16;1-2-4(6)7-3-5/h1-3,5-6H,4H2,(H,10,14);5H,2-3H2,1H3