methyl 2-(3-nitro-4-prop-2-ynoxy-phenyl)propanoate

Systemtic Name: methyl 2-(3-nitro-4-prop-2-ynoxy-phenyl)propanoate Openeye Name: methyl 2-(3-nitro-4-prop-2-ynoxy-phenyl)propanoate CAS Name: 2-(3-nitro-4-prop-2-ynoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(3-nitro-4-prop-2-ynoxyphenyl)propanoate Traditional Name: 2-(3-nitro-4-propargyloxy-phenyl)propionic acid methyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-4-7-19-12-6-5-10(8-11(12)14(16)17)9(2)13(15)18-3/h1,5-6,8-9H,7H2,2-3H3