(2-bromophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-bromophenyl)methanone CAS Name: (2-bromophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (2-bromophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-(2-bromophenyl)methanone Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O3/c1-2-9-22-18-14-15(7-8-19(18)25(27)28)23-10-12-24(13-11-23)20(26)16-5-3-4-6-17(16)21/h2-8,14,22H,1,9-13H2