2-[3-ethyl-1,4-dimethyl-5-(2-nitrophenyl)carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrophenyl)carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetic acid CAS Name: 2-[3-ethyl-1,4-dimethyl-5-[(2-nitrophenyl)-oxomethyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetic acid Traditional Name: 2-[3-ethyl-1,4-dimethyl-5-(2-nitrobenzoyl)pyrrol-2-yl]acetic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-4-11-10(2)16(18(3)14(11)9-15(20)21)17(22)12-7-5-6-8-13(12)19(23)24/h5-8H,4,9H2,1-3H3,(H,20,21)