aziridine; (2E,5Z)-3-(4-chlorophenyl)-6-(ethylamino)-4-oxidanylidene-hepta-2,5-dienoate

Systemtic Name: aziridine; (2E,5Z)-3-(4-chlorophenyl)-6-(ethylamino)-4-oxidanylidene-hepta-2,5-dienoate Openeye Name: aziridine; (2E,5Z)-3-(4-chlorophenyl)-6-(ethylamino)-4-oxo-hepta-2,5-dienoate CAS Name: aziridine; (2E,5Z)-3-(4-chlorophenyl)-6-(ethylamino)-4-oxohepta-2,5-dienoate IUPAC Name: aziridine; (2E,5Z)-3-(4-chlorophenyl)-6-(ethylamino)-4-oxohepta-2,5-dienoate Traditional Name: (2E,5Z)-3-(4-chlorophenyl)-6-(ethylamino)-4-keto-hepta-2,5-dienoate; ethylenimine Formula: C17H20ClN2O3- MolecularWeight: 335.8053

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=CC(=O)C(=CC(=O)[O-])C1=CC=C(C=C1)Cl)C.C1CN1

Isomeric SMILES

CCN/C(=C\C(=O)/C(=C/C(=O)[O-])/C1=CC=C(C=C1)Cl)/C.C1CN1

InChI

InChI=1S/C15H16ClNO3.C2H5N/c1-3-17-10(2)8-14(18)13(9-15(19)20)11-4-6-12(16)7-5-11;1-2-3-1/h4-9,17H,3H2,1-2H3,(H,19,20);3H,1-2H2/p-1/b10-8-,13-9+;