(phenylmethyl) 4-ethyl-2-methanoyl-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-2-methanoyl-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Openeye Name: benzyl 4-ethyl-2-formyl-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-2-formyl-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(3-nitrophenyl)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-2-17-19(21(25)28-13-14-7-4-3-5-8-14)18(12-24)22-20(17)15-9-6-10-16(11-15)23(26)27/h3-12,22H,2,13H2,1H3