1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]piperidin-1-ium-4-carboxylate Formula: C15H19N3O6 MolecularWeight: 337.32786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-24-13-3-2-11(18(22)23)8-12(13)16-14(19)9-17-6-4-10(5-7-17)15(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,16,19)(H,20,21)