[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C17H17N3O7/c1-9(21)11-6-14(18-8-11)17(23)27-10(2)16(22)19-13-5-4-12(26-3)7-15(13)20(24)25/h4-8,10,18H,1-3H3,(H,19,22)/t10-/m1/s1