methyl 4-methyl-2-[(4-nitro-2-prop-1-ynyl-phenyl)carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(4-nitro-2-prop-1-ynyl-phenyl)carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[(4-nitro-2-prop-1-ynyl-benzoyl)amino]pentanoate CAS Name: 4-methyl-2-[[(4-nitro-2-prop-1-ynylphenyl)-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-nitro-2-prop-1-ynylbenzoyl)amino]pentanoate Traditional Name: 4-methyl-2-[(4-nitro-2-prop-1-ynyl-benzoyl)amino]valeric acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-5-6-12-10-13(19(22)23)7-8-14(12)16(20)18-15(9-11(2)3)17(21)24-4/h7-8,10-11,15H,9H2,1-4H3,(H,18,20)