3-ethyl-3-(3-nitrophenyl)carbonyl-pentanoic acid

Systemtic Name: 3-ethyl-3-(3-nitrophenyl)carbonyl-pentanoic acid Openeye Name: 3-ethyl-3-(3-nitrobenzoyl)pentanoic acid CAS Name: 3-ethyl-3-[(3-nitrophenyl)-oxomethyl]pentanoic acid IUPAC Name: 3-ethyl-3-(3-nitrobenzoyl)pentanoic acid Traditional Name: 3-ethyl-3-(3-nitrobenzoyl)valeric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)O)C(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)(CC(=O)O)C(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO5/c1-3-14(4-2,9-12(16)17)13(18)10-6-5-7-11(8-10)15(19)20/h5-8H,3-4,9H2,1-2H3,(H,16,17)