calcium [(Z)-1-chloranylbutylideneamino] N-(3-methylphenyl)carbamate dichloride

Systemtic Name: calcium [(Z)-1-chloranylbutylideneamino] N-(3-methylphenyl)carbamate dichloride Openeye Name: calcium [(Z)-1-chlorobutylideneamino] N-(m-tolyl)carbamate dichloride CAS Name: calcium N-(3-methylphenyl)carbamic acid [(Z)-1-chlorobutylideneamino] ester dichloride IUPAC Name: calcium [(Z)-1-chlorobutylideneamino] N-(3-methylphenyl)carbamate dichloride Traditional Name: calcium N-(m-tolyl)carbamic acid [(Z)-1-chlorobutylideneamino] ester dichloride Formula: C12H15CaCl3N2O2 MolecularWeight: 365.6967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOC(=O)NC1=CC=CC(=C1)C)Cl.[Cl-].[Cl-].[Ca+2]

Isomeric SMILES

CCC/C(=N/OC(=O)NC1=CC=CC(=C1)C)/Cl.[Cl-].[Cl-].[Ca+2]

InChI

InChI=1S/C12H15ClN2O2.Ca.2ClH/c1-3-5-11(13)15-17-12(16)14-10-7-4-6-9(2)8-10;;;/h4,6-8H,3,5H2,1-2H3,(H,14,16);;2*1H/q;+2;;/p-2/b15-11-;;;