methyl 3-nitro-5-(3-propan-2-yloxypropylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(3-propan-2-yloxypropylcarbamoyl)benzoate Openeye Name: methyl 3-(3-isopropoxypropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-(3-propan-2-yloxypropylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(3-propan-2-yloxypropylcarbamoyl)benzoate Traditional Name: 3-(3-isopropoxypropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6/c1-10(2)23-6-4-5-16-14(18)11-7-12(15(19)22-3)9-13(8-11)17(20)21/h7-10H,4-6H2,1-3H3,(H,16,18)