3-cyanopropyl 4-aminocarbonylbenzoate

Systemtic Name: 3-cyanopropyl 4-aminocarbonylbenzoate Openeye Name: 3-cyanopropyl 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid 3-cyanopropyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)C(=O)OCCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)C(=O)OCCCC#N

InChI

InChI=1S/C12H12N2O3/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6H,1-2,8H2,(H2,14,15)