ethyl 5-[(2S)-2-(2-azanyl-5-nitro-phenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(2-azanyl-5-nitro-phenyl)carbonyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(2-amino-5-nitro-benzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(2-amino-5-nitrophenyl)-oxomethoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(2-amino-5-nitrobenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2-amino-5-nitro-benzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O7 MolecularWeight: 403.38594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)C

InChI

InChI=1S/C19H21N3O7/c1-5-28-19(25)15-9(2)16(21-10(15)3)17(23)11(4)29-18(24)13-8-12(22(26)27)6-7-14(13)20/h6-8,11,21H,5,20H2,1-4H3/t11-/m0/s1