(5-methyl-4-nitro-2-propan-2-yl-phenyl) N,N-bis(2-chloroethyl)carbamate

Systemtic Name: (5-methyl-4-nitro-2-propan-2-yl-phenyl) N,N-bis(2-chloroethyl)carbamate Openeye Name: (2-isopropyl-5-methyl-4-nitro-phenyl) N,N-bis(2-chloroethyl)carbamate CAS Name: N,N-bis(2-chloroethyl)carbamic acid (5-methyl-4-nitro-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-4-nitro-2-propan-2-ylphenyl) N,N-bis(2-chloroethyl)carbamate Traditional Name: N,N-bis(2-chloroethyl)carbamic acid (2-isopropyl-5-methyl-4-nitro-phenyl) ester Formula: C15H20Cl2N2O4 MolecularWeight: 363.2363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC(=O)N(CCCl)CCCl)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)OC(=O)N(CCCl)CCCl)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20Cl2N2O4/c1-10(2)12-9-13(19(21)22)11(3)8-14(12)23-15(20)18(6-4-16)7-5-17/h8-10H,4-7H2,1-3H3