3-(3-methyl-4-nitro-phenoxy)propanoate

Systemtic Name: 3-(3-methyl-4-nitro-phenoxy)propanoate Openeye Name: 3-(3-methyl-4-nitro-phenoxy)propanoate CAS Name: 3-(3-methyl-4-nitrophenoxy)propanoate IUPAC Name: 3-(3-methyl-4-nitrophenoxy)propanoate Traditional Name: 3-(3-methyl-4-nitro-phenoxy)propionate Formula: C10H10NO5- MolecularWeight: 224.1901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5/c1-7-6-8(16-5-4-10(12)13)2-3-9(7)11(14)15/h2-3,6H,4-5H2,1H3,(H,12,13)/p-1