2-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid

Systemtic Name: 2-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethoxy]-5-nitro-benzoic acid Openeye Name: 2-[2-(cyclopropylmethylamino)-2-oxo-ethoxy]-5-nitro-benzoic acid CAS Name: 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-nitrobenzoic acid IUPAC Name: 2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-5-nitrobenzoic acid Traditional Name: 2-[2-(cyclopropylmethylamino)-2-keto-ethoxy]-5-nitro-benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC1CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14N2O6/c16-12(14-6-8-1-2-8)7-21-11-4-3-9(15(19)20)5-10(11)13(17)18/h3-5,8H,1-2,6-7H2,(H,14,16)(H,17,18)