3-pyridin-1-ium-1-ylpropyl 3-nitrobenzoate

Systemtic Name: 3-pyridin-1-ium-1-ylpropyl 3-nitrobenzoate Openeye Name: 3-pyridin-1-ium-1-ylpropyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 3-(1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-pyridin-1-ium-1-ylpropyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 3-pyridin-1-ium-1-ylpropyl ester Formula: C15H15N2O4+ MolecularWeight: 287.2906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O4/c18-15(13-6-4-7-14(12-13)17(19)20)21-11-5-10-16-8-2-1-3-9-16/h1-4,6-9,12H,5,10-11H2/q+1