ethyl 4-[4-[(4-methylphenyl)carbonylamino]-2-nitro-phenyl]-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-[4-[(4-methylphenyl)carbonylamino]-2-nitro-phenyl]-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-hydroxy-4-[4-[(4-methylbenzoyl)amino]-2-nitro-phenyl]but-2-ynoate CAS Name: 4-hydroxy-4-[4-[[(4-methylphenyl)-oxomethyl]amino]-2-nitrophenyl]-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-[4-[(4-methylbenzoyl)amino]-2-nitrophenyl]but-2-ynoate Traditional Name: 4-hydroxy-4-[2-nitro-4-(p-toluoylamino)phenyl]but-2-ynoic acid ethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C#CC(C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C)[N+](=O)[O-])O

InChI

InChI=1S/C20H18N2O6/c1-3-28-19(24)11-10-18(23)16-9-8-15(12-17(16)22(26)27)21-20(25)14-6-4-13(2)5-7-14/h4-9,12,18,23H,3H2,1-2H3,(H,21,25)