[3-(2-dimethylaminoethylcarbamoyl)-2-nitro-phenyl]methyl N,N-bis(2-chloroethyl)carbamate

Systemtic Name: [3-(2-dimethylaminoethylcarbamoyl)-2-nitro-phenyl]methyl N,N-bis(2-chloroethyl)carbamate Openeye Name: [3-(2-dimethylaminoethylcarbamoyl)-2-nitro-phenyl]methyl N,N-bis(2-chloroethyl)carbamate CAS Name: N,N-bis(2-chloroethyl)carbamic acid [3-[(2-dimethylaminoethylamino)-oxomethyl]-2-nitrophenyl]methyl ester IUPAC Name: [3-(2-dimethylaminoethylcarbamoyl)-2-nitrophenyl]methyl N,N-bis(2-chloroethyl)carbamate Traditional Name: N,N-bis(2-chloroethyl)carbamic acid [3-(2-dimethylaminoethylcarbamoyl)-2-nitro-benzyl] ester Formula: C17H24Cl2N4O5 MolecularWeight: 435.30226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=C(C(=CC=C1)COC(=O)N(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC(=O)C1=C(C(=CC=C1)COC(=O)N(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C17H24Cl2N4O5/c1-21(2)11-8-20-16(24)14-5-3-4-13(15(14)23(26)27)12-28-17(25)22(9-6-18)10-7-19/h3-5H,6-12H2,1-2H3,(H,20,24)