[5-chloranyl-2-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-4-methyl-phenyl]-phenyl-methanone

Systemtic Name: [5-chloranyl-2-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-4-methyl-phenyl]-phenyl-methanone Openeye Name: [5-chloro-2-[2,4-dinitro-5-(1-piperidylamino)phenoxy]-4-methyl-phenyl]-phenyl-methanone CAS Name: [5-chloro-2-[2,4-dinitro-5-(1-piperidinylamino)phenoxy]-4-methylphenyl]-phenylmethanone IUPAC Name: [5-chloro-2-[2,4-dinitro-5-(piperidin-1-ylamino)phenoxy]-4-methylphenyl]-phenylmethanone Traditional Name: [5-chloro-2-[2,4-dinitro-5-(piperidinoamino)phenoxy]-4-methyl-phenyl]-phenyl-methanone Formula: C25H23ClN4O6 MolecularWeight: 510.92632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)OC2=C(C=C(C(=C2)NN3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H23ClN4O6/c1-16-12-23(18(13-19(16)26)25(31)17-8-4-2-5-9-17)36-24-14-20(27-28-10-6-3-7-11-28)21(29(32)33)15-22(24)30(34)35/h2,4-5,8-9,12-15,27H,3,6-7,10-11H2,1H3