methyl 3-(4-methyl-3-nitro-phenyl)prop-2-ynoate

Systemtic Name: methyl 3-(4-methyl-3-nitro-phenyl)prop-2-ynoate Openeye Name: methyl 3-(4-methyl-3-nitro-phenyl)prop-2-ynoate CAS Name: 3-(4-methyl-3-nitrophenyl)-2-propynoic acid methyl ester IUPAC Name: methyl 3-(4-methyl-3-nitrophenyl)prop-2-ynoate Traditional Name: 3-(4-methyl-3-nitro-phenyl)propiolic acid methyl ester Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO4/c1-8-3-4-9(5-6-11(13)16-2)7-10(8)12(14)15/h3-4,7H,1-2H3