ethyl 3-nitro-5-(prop-2-ynylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(prop-2-ynylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(prop-2-ynylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(prop-2-ynylamino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(prop-2-ynylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(propargylcarbamoyl)benzoic acid ethyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-3-5-14-12(16)9-6-10(13(17)20-4-2)8-11(7-9)15(18)19/h1,6-8H,4-5H2,2H3,(H,14,16)