1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]propan-2-yl 4-nitrobenzoate

Systemtic Name: 1-[2,4,6-tris(oxidanylidene)-5-phenyl-1,3-diazinan-5-yl]propan-2-yl 4-nitrobenzoate Openeye Name: [1-methyl-2-(2,4,6-trioxo-5-phenyl-hexahydropyrimidin-5-yl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl ester IUPAC Name: 1-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)propan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-methyl-2-(2,4,6-triketo-5-phenyl-hexahydropyrimidin-5-yl)ethyl] ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-12(30-16(24)13-7-9-15(10-8-13)23(28)29)11-20(14-5-3-2-4-6-14)17(25)21-19(27)22-18(20)26/h2-10,12H,11H2,1H3,(H2,21,22,25,26,27)