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

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-chloro-4-methyl-phenyl)methanone CAS Name: (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(allylamino)-4-nitro-phenyl]piperazino]-(3-chloro-4-methyl-phenyl)methanone Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC=C)Cl

InChI

InChI=1S/C21H23ClN4O3/c1-3-8-23-19-14-17(6-7-20(19)26(28)29)24-9-11-25(12-10-24)21(27)16-5-4-15(2)18(22)13-16/h3-7,13-14,23H,1,8-12H2,2H3