ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-2,5-dimethyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O5/c1-4-31-21(27)20-15(3)25(24-22(28)23-17-8-6-5-7-9-17)14(2)19(20)16-10-12-18(13-11-16)26(29)30/h5-13H,4H2,1-3H3,(H2,23,24,28)