methyl 3-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1-(4-methylphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[3-isopropoxy-3-oxo-1-(p-tolyl)propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methylphenyl)-3-oxo-3-propan-2-yloxypropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-isopropoxy-3-keto-1-(p-tolyl)propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H24N2O7/c1-13(2)31-20(25)12-19(15-7-5-14(3)6-8-15)23-21(26)16-9-17(22(27)30-4)11-18(10-16)24(28)29/h5-11,13,19H,12H2,1-4H3,(H,23,26)