(3-bromophenyl) N-[3-[2-[(5-nitropyrimidin-2-yl)methylamino]ethyl]-1H-indol-5-yl]carbamate

Systemtic Name: (3-bromophenyl) N-[3-[2-[(5-nitropyrimidin-2-yl)methylamino]ethyl]-1H-indol-5-yl]carbamate Openeye Name: (3-bromophenyl) N-[3-[2-[(5-nitropyrimidin-2-yl)methylamino]ethyl]-1H-indol-5-yl]carbamate CAS Name: N-[3-[2-[(5-nitro-2-pyrimidinyl)methylamino]ethyl]-1H-indol-5-yl]carbamic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) N-[3-[2-[(5-nitropyrimidin-2-yl)methylamino]ethyl]-1H-indol-5-yl]carbamate Traditional Name: N-[3-[2-[(5-nitropyrimidin-2-yl)methylamino]ethyl]-1H-indol-5-yl]carbamic acid (3-bromophenyl) ester Formula: C22H19BrN6O4 MolecularWeight: 511.32806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)OC(=O)NC2=CC3=C(C=C2)NC=C3CCNCC4=NC=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)OC(=O)NC2=CC3=C(C=C2)NC=C3CCNCC4=NC=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H19BrN6O4/c23-15-2-1-3-18(8-15)33-22(30)28-16-4-5-20-19(9-16)14(10-25-20)6-7-24-13-21-26-11-17(12-27-21)29(31)32/h1-5,8-12,24-25H,6-7,13H2,(H,28,30)