ethyl 2,4-dimethyl-5-[(2S)-2-[(3-nitrophenyl)amino]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[(3-nitrophenyl)amino]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-nitroanilino)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-(3-nitroanilino)-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(3-nitroanilino)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(3-nitroanilino)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5/c1-5-26-18(23)15-10(2)16(20-11(15)3)17(22)12(4)19-13-7-6-8-14(9-13)21(24)25/h6-9,12,19-20H,5H2,1-4H3/t12-/m0/s1