(Z)-1-(4-chlorophenyl)-2-isocyano-3-(propan-2-ylamino)prop-2-en-1-one

Systemtic Name: (Z)-1-(4-chlorophenyl)-2-isocyano-3-(propan-2-ylamino)prop-2-en-1-one Openeye Name: (Z)-1-(4-chlorophenyl)-2-isocyano-3-(isopropylamino)prop-2-en-1-one CAS Name: (Z)-1-(4-chlorophenyl)-2-isocyano-3-(propan-2-ylamino)-2-propen-1-one IUPAC Name: (Z)-1-(4-chlorophenyl)-2-isocyano-3-(propan-2-ylamino)prop-2-en-1-one Traditional Name: (Z)-1-(4-chlorophenyl)-2-isocyano-3-(isopropylamino)prop-2-en-1-one Formula: C13H13ClN2O MolecularWeight: 248.70812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC=C(C(=O)C1=CC=C(C=C1)Cl)[N+]#[C-]

Isomeric SMILES

CC(C)N/C=C(/C(=O)C1=CC=C(C=C1)Cl)\[N+]#[C-]

InChI

InChI=1S/C13H13ClN2O/c1-9(2)16-8-12(15-3)13(17)10-4-6-11(14)7-5-10/h4-9,16H,1-2H3/b12-8-