3-methyl-5-(4-nitrophenyl)-2-propan-2-yl-pent-4-ynoic acid

Systemtic Name: 3-methyl-5-(4-nitrophenyl)-2-propan-2-yl-pent-4-ynoic acid Openeye Name: 2-isopropyl-3-methyl-5-(4-nitrophenyl)pent-4-ynoic acid CAS Name: 3-methyl-5-(4-nitrophenyl)-2-propan-2-yl-4-pentynoic acid IUPAC Name: 3-methyl-5-(4-nitrophenyl)-2-propan-2-ylpent-4-ynoic acid Traditional Name: 2-isopropyl-3-methyl-5-(4-nitrophenyl)pent-4-ynoic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C#CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C(C(C)C#CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H17NO4/c1-10(2)14(15(17)18)11(3)4-5-12-6-8-13(9-7-12)16(19)20/h6-11,14H,1-3H3,(H,17,18)