benzotriazol-1-yl-(3,5-dinitro-4-piperidin-1-yl-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(3,5-dinitro-4-piperidin-1-yl-phenyl)methanone Openeye Name: benzotriazol-1-yl-[3,5-dinitro-4-(1-piperidyl)phenyl]methanone CAS Name: 1-benzotriazolyl-[3,5-dinitro-4-(1-piperidinyl)phenyl]methanone IUPAC Name: benzotriazol-1-yl-(3,5-dinitro-4-piperidin-1-ylphenyl)methanone Traditional Name: benzotriazol-1-yl-(3,5-dinitro-4-piperidino-phenyl)methanone Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O5/c25-18(22-14-7-3-2-6-13(14)19-20-22)12-10-15(23(26)27)17(16(11-12)24(28)29)21-8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9H2