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

Systemtic Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-phenyl-methanone Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c1-2-10-21-18-15-17(8-9-19(18)24(26)27)22-11-13-23(14-12-22)20(25)16-6-4-3-5-7-16/h2-9,15,21H,1,10-14H2