2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-nitrobenzoate

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 4-nitrobenzoate Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester Formula: C15H14N3O5+ MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)C(=O)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5/c19-14(12-2-1-7-16-10-12)17-8-9-23-15(20)11-3-5-13(6-4-11)18(21)22/h1-7,10H,8-9H2,(H,17,19)/p+1