3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide

Systemtic Name: 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide Openeye Name: 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide CAS Name: 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide IUPAC Name: 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide Traditional Name: 3,5-dinitro-N-[3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]benzamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC=CC=C3N2CCCNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=CC=CC=C3N2CCCNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c27-22(15-12-16(25(28)29)14-17(13-15)26(30)31)23-10-5-11-24-20-8-3-1-6-18(20)19-7-2-4-9-21(19)24/h1,3,6,8,12-14H,2,4-5,7,9-11H2,(H,23,27)