methyl 3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(3,4-diethoxyphenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)OCC

InChI

InChI=1S/C21H24N2O7/c1-4-29-18-7-6-14(10-19(18)30-5-2)8-9-22-20(24)15-11-16(21(25)28-3)13-17(12-15)23(26)27/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,22,24)