ethyl [4-[(E)-3-oxidanylidene-3-[(2-oxidanylideneazepan-4-yl)amino]prop-1-enyl]phenyl] carbonate

Systemtic Name: ethyl [4-[(E)-3-oxidanylidene-3-[(2-oxidanylideneazepan-4-yl)amino]prop-1-enyl]phenyl] carbonate Openeye Name: ethyl [4-[(E)-3-oxo-3-[(2-oxoazepan-4-yl)amino]prop-1-enyl]phenyl] carbonate CAS Name: carbonic acid ethyl [4-[(E)-3-oxo-3-[(2-oxo-4-azepanyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: ethyl [4-[(E)-3-oxo-3-[(2-oxoazepan-4-yl)amino]prop-1-enyl]phenyl] carbonate Traditional Name: carbonic acid ethyl [4-[(E)-3-keto-3-[(2-ketoazepan-4-yl)amino]prop-1-enyl]phenyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC=C(C=C1)C=CC(=O)NC2CCCNC(=O)C2

Isomeric SMILES

CCOC(=O)OC1=CC=C(C=C1)/C=C/C(=O)NC2CCCNC(=O)C2

InChI

InChI=1S/C18H22N2O5/c1-2-24-18(23)25-15-8-5-13(6-9-15)7-10-16(21)20-14-4-3-11-19-17(22)12-14/h5-10,14H,2-4,11-12H2,1H3,(H,19,22)(H,20,21)/b10-7+