methyl 3-(3-ethoxypropylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(3-ethoxypropylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(3-ethoxypropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3-ethoxypropylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3-ethoxypropylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(3-ethoxypropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCOCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H18N2O6/c1-3-22-6-4-5-15-13(17)10-7-11(14(18)21-2)9-12(8-10)16(19)20/h7-9H,3-6H2,1-2H3,(H,15,17)