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

Systemtic Name: ethyl 3-[(3-ethyl-2-morpholin-4-yl-pentyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3-ethyl-2-morpholino-pentyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-ethyl-2-(4-morpholinyl)pentyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-ethyl-2-morpholino-pentyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)N2CCOCC2

Isomeric SMILES

CCC(CC)C(CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC)N2CCOCC2

InChI

InChI=1S/C21H31N3O6/c1-4-15(5-2)19(23-7-9-29-10-8-23)14-22-20(25)16-11-17(21(26)30-6-3)13-18(12-16)24(27)28/h11-13,15,19H,4-10,14H2,1-3H3,(H,22,25)