methyl 3-[(2,2-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2,2-dimethyl-6-oxidanyl-1,3-dioxepan-5-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(CO1)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1(OCC(C(CO1)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C16H20N2O8/c1-16(2)25-7-12(13(19)8-26-16)17-14(20)9-4-10(15(21)24-3)6-11(5-9)18(22)23/h4-6,12-13,19H,7-8H2,1-3H3,(H,17,20)