diethyl 2-[[4-[(E)-5-nitropent-4-enyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(E)-5-nitropent-4-enyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(E)-5-nitropent-4-enyl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(E)-5-nitropent-4-enyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(E)-5-nitropent-4-enyl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(E)-5-nitropent-4-enyl]benzoyl]amino]glutaric acid diethyl ester Formula: C21H28N2O7 MolecularWeight: 420.45622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC=C[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC/C=C/[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O7/c1-3-29-19(24)14-13-18(21(26)30-4-2)22-20(25)17-11-9-16(10-12-17)8-6-5-7-15-23(27)28/h7,9-12,15,18H,3-6,8,13-14H2,1-2H3,(H,22,25)/b15-7+