2-[methyl(oxan-4-yl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[methyl(oxan-4-yl)amino]-5-nitro-benzoic acid Openeye Name: 2-[methyl(tetrahydropyran-4-yl)amino]-5-nitro-benzoic acid CAS Name: 2-[methyl(4-oxanyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[methyl(oxan-4-yl)amino]-5-nitrobenzoic acid Traditional Name: 2-[methyl(tetrahydropyran-4-yl)amino]-5-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C1CCOCC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O5/c1-14(9-4-6-20-7-5-9)12-3-2-10(15(18)19)8-11(12)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,16,17)