(2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 4-nitrobenzoate

Systemtic Name: (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 4-nitrobenzoate Openeye Name: (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) ester IUPAC Name: (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-nitramido-1,4,5,6-tetrahydropyrimidin-5-yl) ester Formula: C11H11N5O6 MolecularWeight: 309.23494

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN=C(N1)N[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C(CN=C(N1)N[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O6/c17-10(7-1-3-8(4-2-7)15(18)19)22-9-5-12-11(13-6-9)14-16(20)21/h1-4,9H,5-6H2,(H2,12,13,14)