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

Systemtic Name: methyl 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(N1NC(=O)NC2=CC=CC=C2)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-13-18(15-9-11-17(12-10-15)25(28)29)19(20(26)30-3)14(2)24(13)23-21(27)22-16-7-5-4-6-8-16/h4-12H,1-3H3,(H2,22,23,27)