2-(azocan-1-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(azocan-1-yl)-5-nitro-benzoic acid Openeye Name: 2-(azocan-1-yl)-5-nitro-benzoic acid CAS Name: 2-(1-azocanyl)-5-nitrobenzoic acid IUPAC Name: 2-(azocan-1-yl)-5-nitrobenzoic acid Traditional Name: 2-(azocan-1-yl)-5-nitro-benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N2O4/c17-14(18)12-10-11(16(19)20)6-7-13(12)15-8-4-2-1-3-5-9-15/h6-7,10H,1-5,8-9H2,(H,17,18)