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

Systemtic Name: ethyl 3-nitro-5-(3-propan-2-yloxypropylcarbamoyl)benzoate Openeye Name: ethyl 3-(3-isopropoxypropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-(3-propan-2-yloxypropylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(3-propan-2-yloxypropylcarbamoyl)benzoate Traditional Name: 3-(3-isopropoxypropylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCOC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCOC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-4-23-16(20)13-8-12(9-14(10-13)18(21)22)15(19)17-6-5-7-24-11(2)3/h8-11H,4-7H2,1-3H3,(H,17,19)