propan-2-yl N-[4-(2-bromanylethanoylamino)-3-nitro-phenyl]carbamate

Systemtic Name: propan-2-yl N-[4-(2-bromanylethanoylamino)-3-nitro-phenyl]carbamate Openeye Name: isopropyl N-[4-[(2-bromoacetyl)amino]-3-nitro-phenyl]carbamate CAS Name: N-[4-[(2-bromo-1-oxoethyl)amino]-3-nitrophenyl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[4-[(2-bromoacetyl)amino]-3-nitrophenyl]carbamate Traditional Name: N-[4-[(2-bromoacetyl)amino]-3-nitro-phenyl]carbamic acid isopropyl ester Formula: C12H14BrN3O5 MolecularWeight: 360.16066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC1=CC(=C(C=C1)NC(=O)CBr)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)NC1=CC(=C(C=C1)NC(=O)CBr)[N+](=O)[O-]

InChI

InChI=1S/C12H14BrN3O5/c1-7(2)21-12(18)14-8-3-4-9(15-11(17)6-13)10(5-8)16(19)20/h3-5,7H,6H2,1-2H3,(H,14,18)(H,15,17)