methyl 4-[(2,6-dimethyl-4-nitro-phenyl)-(2-methoxyethanoyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[(2,6-dimethyl-4-nitro-phenyl)-(2-methoxyethanoyl)amino]but-2-ynoate Openeye Name: methyl 4-(N-(2-methoxyacetyl)-2,6-dimethyl-4-nitro-anilino)but-2-ynoate CAS Name: 4-(N-(2-methoxy-1-oxoethyl)-2,6-dimethyl-4-nitroanilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(N-(2-methoxyacetyl)-2,6-dimethyl-4-nitroanilino)but-2-ynoate Traditional Name: 4-(N-(2-methoxyacetyl)-2,6-dimethyl-4-nitro-anilino)but-2-ynoic acid methyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N(CC#CC(=O)OC)C(=O)COC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1N(CC#CC(=O)OC)C(=O)COC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-11-8-13(18(21)22)9-12(2)16(11)17(14(19)10-23-3)7-5-6-15(20)24-4/h8-9H,7,10H2,1-4H3