1-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H17N4O5+ MolecularWeight: 345.32998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H16N4O5/c1-10(19-7-3-4-11(9-19)15(17)21)16(22)18-13-8-12(20(23)24)5-6-14(13)25-2/h3-10H,1-2H3,(H2-,17,18,21,22)/p+1/t10-/m1/s1