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

Systemtic Name: (3-chlorophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-chlorophenyl)methanone CAS Name: (3-chlorophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-chlorophenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-(3-chlorophenyl)methanone Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c1-2-8-22-18-14-17(6-7-19(18)25(27)28)23-9-11-24(12-10-23)20(26)15-4-3-5-16(21)13-15/h2-7,13-14,22H,1,8-12H2