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

Systemtic Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone CAS Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]-(4-propoxyphenyl)methanone IUPAC Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-(4-propoxyphenyl)methanone Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC=C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC=C

InChI

InChI=1S/C23H28N4O4/c1-3-11-24-21-17-19(7-10-22(21)27(29)30)25-12-14-26(15-13-25)23(28)18-5-8-20(9-6-18)31-16-4-2/h3,5-10,17,24H,1,4,11-16H2,2H3