[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [(1R)-2-(2-methoxy-4-nitro-anilino)-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1R)-2-keto-2-(2-methoxy-4-nitro-anilino)-1-methyl-ethyl] ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c1-10(25-16(21)11-4-3-7-17-9-11)15(20)18-13-6-5-12(19(22)23)8-14(13)24-2/h3-10H,1-2H3,(H,18,20)/t10-/m1/s1