(2R)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2-methyl-5-nitro-anilino)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2-methyl-5-nitroanilino)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(2-methyl-5-nitroanilino)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(2-methyl-5-nitro-anilino)-2-piperidin-1-ium-1-yl-butyrate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C16H21N3O5/c1-11-5-6-12(19(23)24)9-13(11)17-15(20)10-14(16(21)22)18-7-3-2-4-8-18/h5-6,9,14H,2-4,7-8,10H2,1H3,(H,17,20)(H,21,22)/t14-/m1/s1