prop-2-ynyl N-[4-[3,5-bis(chloranyl)phenoxy]-3-nitro-phenyl]carbonylcarbamate

Systemtic Name: prop-2-ynyl N-[4-[3,5-bis(chloranyl)phenoxy]-3-nitro-phenyl]carbonylcarbamate Openeye Name: prop-2-ynyl N-[4-(3,5-dichlorophenoxy)-3-nitro-benzoyl]carbamate CAS Name: N-[[4-(3,5-dichlorophenoxy)-3-nitrophenyl]-oxomethyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[4-(3,5-dichlorophenoxy)-3-nitrobenzoyl]carbamate Traditional Name: N-[4-(3,5-dichlorophenoxy)-3-nitro-benzoyl]carbamic acid propargyl ester Formula: C17H10Cl2N2O6 MolecularWeight: 409.1771

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)NC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H10Cl2N2O6/c1-2-5-26-17(23)20-16(22)10-3-4-15(14(6-10)21(24)25)27-13-8-11(18)7-12(19)9-13/h1,3-4,6-9H,5H2,(H,20,22,23)