1-[4-(2-bromanylethanoyl)-2-methyl-6-nitro-phenyl]-3-propyl-urea

Systemtic Name: 1-[4-(2-bromanylethanoyl)-2-methyl-6-nitro-phenyl]-3-propyl-urea Openeye Name: 1-[4-(2-bromoacetyl)-2-methyl-6-nitro-phenyl]-3-propyl-urea CAS Name: 1-[4-(2-bromo-1-oxoethyl)-2-methyl-6-nitrophenyl]-3-propylurea IUPAC Name: 1-[4-(2-bromoacetyl)-2-methyl-6-nitrophenyl]-3-propylurea Traditional Name: 1-[4-(2-bromoacetyl)-2-methyl-6-nitro-phenyl]-3-propyl-urea Formula: C13H16BrN3O4 MolecularWeight: 358.18784

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)CBr)C

Isomeric SMILES

CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)CBr)C

InChI

InChI=1S/C13H16BrN3O4/c1-3-4-15-13(19)16-12-8(2)5-9(11(18)7-14)6-10(12)17(20)21/h5-6H,3-4,7H2,1-2H3,(H2,15,16,19)