ethyl 5-ethyl-4-nitro-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 5-ethyl-4-nitro-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-5-ethyl-4-nitro-pyrrole-2-carboxylate CAS Name: 5-ethyl-4-nitro-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-ethyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-benzyl-5-ethyl-4-nitro-pyrrole-2-carboxylic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1CC2=CC=CC=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(N1CC2=CC=CC=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-3-13-14(18(20)21)10-15(16(19)22-4-2)17(13)11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3