ethyl (E)-3-[[3,4-bis(1-chloroethyl)phenyl]methoxycarbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[3,4-bis(1-chloroethyl)phenyl]methoxycarbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[3,4-bis(1-chloroethyl)phenyl]methoxycarbonylamino]but-2-enoate CAS Name: (E)-3-[[[3,4-bis(1-chloroethyl)phenyl]methoxy-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3,4-bis(1-chloroethyl)phenyl]methoxycarbonylamino]but-2-enoate Traditional Name: (E)-3-[[3,4-bis(1-chloroethyl)benzyl]oxycarbonylamino]but-2-enoic acid ethyl ester Formula: C18H23Cl2NO4 MolecularWeight: 388.28552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)OCC1=CC(=C(C=C1)C(C)Cl)C(C)Cl

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)OCC1=CC(=C(C=C1)C(C)Cl)C(C)Cl

InChI

InChI=1S/C18H23Cl2NO4/c1-5-24-17(22)8-11(2)21-18(23)25-10-14-6-7-15(12(3)19)16(9-14)13(4)20/h6-9,12-13H,5,10H2,1-4H3,(H,21,23)/b11-8+