ethyl 4-[2-[cyclopropyl-(3-nitrophenyl)carbonyl-amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-[cyclopropyl-(3-nitrophenyl)carbonyl-amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[cyclopropyl-(3-nitrobenzoyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[cyclopropyl-[(3-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[cyclopropyl-(3-nitrobenzoyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[cyclopropyl-(3-nitrobenzoyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(C2CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN(C2CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6/c1-4-30-21(27)19-12(2)18(13(3)22-19)17(25)11-23(15-8-9-15)20(26)14-6-5-7-16(10-14)24(28)29/h5-7,10,15,22H,4,8-9,11H2,1-3H3