ethyl 3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C24H29N3O8 MolecularWeight: 487.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC(=C(C=C2)OC)OC)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC(=C(C=C2)OC)OC)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O8/c1-4-35-24(29)18-11-17(12-19(13-18)27(30)31)23(28)25-15-20(26-7-9-34-10-8-26)16-5-6-21(32-2)22(14-16)33-3/h5-6,11-14,20H,4,7-10,15H2,1-3H3,(H,25,28)