4-[2-[(6-nitropyridin-3-yl)amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(6-nitropyridin-3-yl)amino]ethyl]benzoic acid Openeye Name: 4-[2-[(6-nitro-3-pyridyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[(6-nitro-3-pyridinyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(6-nitropyridin-3-yl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(6-nitro-3-pyridyl)amino]ethyl]benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=CN=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC2=CN=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O4/c18-14(19)11-3-1-10(2-4-11)7-8-15-12-5-6-13(16-9-12)17(20)21/h1-6,9,15H,7-8H2,(H,18,19)