[8-(2-chloranyl-4-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone

Systemtic Name: [8-(2-chloranyl-4-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone Openeye Name: [8-(2-chloro-4-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone CAS Name: [8-[(2-chloro-4-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenylmethanone IUPAC Name: [8-(2-chloro-4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenylmethanone Traditional Name: [8-(2-chloro-4-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-phenyl-methanone Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4S/c22-18-14-16(25(28)29)6-7-17(18)20(27)23-10-8-21(9-11-23)24(12-13-30-21)19(26)15-4-2-1-3-5-15/h1-7,14H,8-13H2