4-tert-butyl-N-[(Z)-1-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]-2-nitro-ethenyl]aniline

Systemtic Name: 4-tert-butyl-N-[(Z)-1-[4-(3-chloranylpyridin-2-yl)piperazin-1-yl]-2-nitro-ethenyl]aniline Openeye Name: 4-tert-butyl-N-[(Z)-1-[4-(3-chloro-2-pyridyl)piperazin-1-yl]-2-nitro-vinyl]aniline CAS Name: 4-tert-butyl-N-[(Z)-1-[4-(3-chloro-2-pyridinyl)-1-piperazinyl]-2-nitroethenyl]aniline IUPAC Name: 4-tert-butyl-N-[(Z)-1-[4-(3-chloropyridin-2-yl)piperazin-1-yl]-2-nitroethenyl]aniline Traditional Name: (4-tert-butylphenyl)-[(Z)-1-[4-(3-chloro-2-pyridyl)piperazino]-2-nitro-vinyl]amine Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=C[N+](=O)[O-])N2CCN(CC2)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N/C(=C/[N+](=O)[O-])/N2CCN(CC2)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C21H26ClN5O2/c1-21(2,3)16-6-8-17(9-7-16)24-19(15-27(28)29)25-11-13-26(14-12-25)20-18(22)5-4-10-23-20/h4-10,15,24H,11-14H2,1-3H3/b19-15-