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

Systemtic Name: methyl 3-[(3-ethyl-2-morpholin-4-yl-pentyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-ethyl-2-morpholino-pentyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-ethyl-2-(4-morpholinyl)pentyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-2-morpholin-4-ylpentyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-ethyl-2-morpholino-pentyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6/c1-4-14(5-2)18(22-6-8-29-9-7-22)13-21-19(24)15-10-16(20(25)28-3)12-17(11-15)23(26)27/h10-12,14,18H,4-9,13H2,1-3H3,(H,21,24)