methyl 3-[1-(3-methoxy-4-propan-2-yloxy-phenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(3-methoxy-4-propan-2-yloxy-phenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(4-isopropoxy-3-methoxy-phenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(4-isopropoxy-3-methoxy-phenyl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C21H24N2O7/c1-12(2)30-18-7-6-14(11-19(18)28-4)13(3)22-20(24)15-8-16(21(25)29-5)10-17(9-15)23(26)27/h6-13H,1-5H3,(H,22,24)