1-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(2-methyl-3-nitro-anilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C15H21N4O4+ MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C15H20N4O4/c1-10-12(3-2-4-13(10)19(22)23)17-14(20)9-18-7-5-11(6-8-18)15(16)21/h2-4,11H,5-9H2,1H3,(H2,16,21)(H,17,20)/p+1