[2-(butylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-2-3-7-14-12(16)9-20-13(17)10-5-4-6-11(8-10)15(18)19/h4-6,8H,2-3,7,9H2,1H3,(H,14,16)