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4-nitro-5-phenethyl-1-(phenylmethyl)pyrrole-2-carboxylic acid

4-nitro-5-phenethyl-1-(phenylmethyl)pyrrole-2-carboxylic acid

Systemtic Name:4-nitro-5-phenethyl-1-(phenylmethyl)pyrrole-2-carboxylic acid
Openeye Name:1-benzyl-4-nitro-5-phenethyl-pyrrole-2-carboxylic acid
CAS Name:4-nitro-5-phenethyl-1-(phenylmethyl)-2-pyrrolecarboxylic acid
IUPAC Name:1-benzyl-4-nitro-5-phenethylpyrrole-2-carboxylic acid
Traditional Name:1-benzyl-4-nitro-5-phenethyl-pyrrole-2-carboxylic acid
Formula: C20H18N2O4
MolecularWeight: 350.36792
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=C(N2CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=C(N2CC3=CC=CC=C3)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C20H18N2O4/c23-20(24)19-13-18(22(25)26)17(12-11-15-7-3-1-4-8-15)21(19)14-16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,23,24)


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