[3-carbonazidoyl-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]cyclopentyl] benzoate

Systemtic Name: [3-carbonazidoyl-2-[(E)-7-methoxy-7-oxidanylidene-hept-2-enyl]cyclopentyl] benzoate Openeye Name: [3-carbonazidoyl-2-[(E)-7-methoxy-7-oxo-hept-2-enyl]cyclopentyl] benzoate CAS Name: benzoic acid [3-carbonazidoyl-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] ester IUPAC Name: [3-carbonazidoyl-2-[(E)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] benzoate Traditional Name: benzoic acid [3-carbonazidoyl-2-[(E)-7-keto-7-methoxy-hept-2-enyl]cyclopentyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(CCC1OC(=O)C2=CC=CC=C2)C(=O)N=[N+]=[N-]

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(CCC1OC(=O)C2=CC=CC=C2)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C21H25N3O5/c1-28-19(25)12-8-3-2-7-11-16-17(20(26)23-24-22)13-14-18(16)29-21(27)15-9-5-4-6-10-15/h2,4-7,9-10,16-18H,3,8,11-14H2,1H3/b7-2+