2,4-dinitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]aniline

Systemtic Name: 2,4-dinitro-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]aniline Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dinitro-aniline CAS Name: 2,4-dinitro-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]aniline IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,4-dinitroaniline Traditional Name: 2-(4-benzylpiperazino)ethyl-(2,4-dinitrophenyl)amine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O4/c25-23(26)17-6-7-18(19(14-17)24(27)28)20-8-9-21-10-12-22(13-11-21)15-16-4-2-1-3-5-16/h1-7,14,20H,8-13,15H2