[3,4,6-triacetyloxy-5-[(3-nitrophenyl)carbamoylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,6-triacetyloxy-5-[(3-nitrophenyl)carbamoylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,6-triacetoxy-5-[(3-nitrophenyl)carbamoylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,6-triacetyloxy-5-[[(3-nitroanilino)-oxomethyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,6-triacetyloxy-5-[(3-nitrophenyl)carbamoylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,6-triacetoxy-5-[(3-nitrophenyl)carbamoylamino]tetrahydropyran-2-yl]methyl ester Formula: C21H25N3O12 MolecularWeight: 511.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H25N3O12/c1-10(25)32-9-16-18(33-11(2)26)19(34-12(3)27)17(20(36-16)35-13(4)28)23-21(29)22-14-6-5-7-15(8-14)24(30)31/h5-8,16-20H,9H2,1-4H3,(H2,22,23,29)