4-[1-ethyl-5-(4-nitrophenyl)carbonyl-pyrrol-3-yl]butanoic acid

Systemtic Name: 4-[1-ethyl-5-(4-nitrophenyl)carbonyl-pyrrol-3-yl]butanoic acid Openeye Name: 4-[1-ethyl-5-(4-nitrobenzoyl)pyrrol-3-yl]butanoic acid CAS Name: 4-[1-ethyl-5-[(4-nitrophenyl)-oxomethyl]-3-pyrrolyl]butanoic acid IUPAC Name: 4-[1-ethyl-5-(4-nitrobenzoyl)pyrrol-3-yl]butanoic acid Traditional Name: 4-[1-ethyl-5-(4-nitrobenzoyl)pyrrol-3-yl]butyric acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

CCN1C=C(C=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCCC(=O)O

InChI

InChI=1S/C17H18N2O5/c1-2-18-11-12(4-3-5-16(20)21)10-15(18)17(22)13-6-8-14(9-7-13)19(23)24/h6-11H,2-5H2,1H3,(H,20,21)