methyl (E)-7-[2-[(4-nitrophenyl)carbonylamino]phenyl]hept-6-enoate

Systemtic Name: methyl (E)-7-[2-[(4-nitrophenyl)carbonylamino]phenyl]hept-6-enoate Openeye Name: methyl (E)-7-[2-[(4-nitrobenzoyl)amino]phenyl]hept-6-enoate CAS Name: (E)-7-[2-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[(4-nitrobenzoyl)amino]phenyl]hept-6-enoate Traditional Name: (E)-7-[2-[(4-nitrobenzoyl)amino]phenyl]hept-6-enoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC=CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCC/C=C/C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-28-20(24)11-5-3-2-4-8-16-9-6-7-10-19(16)22-21(25)17-12-14-18(15-13-17)23(26)27/h4,6-10,12-15H,2-3,5,11H2,1H3,(H,22,25)/b8-4+