2-acetamido-5-nitro-benzoate; pyridin-1-ium

Systemtic Name: 2-acetamido-5-nitro-benzoate; pyridin-1-ium Openeye Name: 2-acetamido-5-nitro-benzoate; pyridin-1-ium CAS Name: 2-acetamido-5-nitrobenzoate; pyridin-1-ium IUPAC Name: 2-acetamido-5-nitrobenzoate; pyridin-1-ium Traditional Name: 2-acetamido-5-nitro-benzoate; pyridin-1-ium Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-].C1=CC=[NH+]C=C1

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)[O-].C1=CC=[NH+]C=C1

InChI

InChI=1S/C9H8N2O5.C5H5N/c1-5(12)10-8-3-2-6(11(15)16)4-7(8)9(13)14;1-2-4-6-5-3-1/h2-4H,1H3,(H,10,12)(H,13,14);1-5H