ethyl 5-azanyl-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 5-amino-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 5-amino-1-[[anilino(oxo)methyl]amino]-2-methyl-4-(4-nitrophenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 5-amino-2-methyl-4-(4-nitrophenyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-3-31-20(27)17-13(2)25(24-21(28)23-15-7-5-4-6-8-15)19(22)18(17)14-9-11-16(12-10-14)26(29)30/h4-12H,3,22H2,1-2H3,(H2,23,24,28)