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

Systemtic Name: methyl 3-(3-methoxypropylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(3-methoxypropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(3-methoxypropylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3-methoxypropylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(3-methoxypropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-20-5-3-4-14-12(16)9-6-10(13(17)21-2)8-11(7-9)15(18)19/h6-8H,3-5H2,1-2H3,(H,14,16)