5-(3-methyl-4-nitro-phenoxy)pentanoate

Systemtic Name: 5-(3-methyl-4-nitro-phenoxy)pentanoate Openeye Name: 5-(3-methyl-4-nitro-phenoxy)pentanoate CAS Name: 5-(3-methyl-4-nitrophenoxy)pentanoate IUPAC Name: 5-(3-methyl-4-nitrophenoxy)pentanoate Traditional Name: 5-(3-methyl-4-nitro-phenoxy)valerate Formula: C12H14NO5- MolecularWeight: 252.24326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-9-8-10(5-6-11(9)13(16)17)18-7-3-2-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)/p-1