(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) N-(3-chlorophenyl)carbamate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) N-(3-chlorophenyl)carbamate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) N-(3-chlorophenyl)carbamate CAS Name: N-(3-chlorophenyl)carbamic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) N-(3-chlorophenyl)carbamate Traditional Name: N-(3-chlorophenyl)carbamic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)NC2=CC(=CC=C2)Cl)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)NC2=CC(=CC=C2)Cl)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O6/c1-10-14(21(24)25)9-13(18(2,3)4)16(15(10)22(26)27)28-17(23)20-12-7-5-6-11(19)8-12/h5-9H,1-4H3,(H,20,23)