5-chloranyl-1'-(4-methyl-3-nitro-phenyl)carbonyl-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Systemtic Name: 5-chloranyl-1'-(4-methyl-3-nitro-phenyl)carbonyl-spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one Openeye Name: 5-chloro-1'-(4-methyl-3-nitro-benzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one CAS Name: 5-chloro-1'-[(4-methyl-3-nitrophenyl)-oxomethyl]-4-spiro[1,3-dihydroquinazoline-2,4'-piperidine]one IUPAC Name: 5-chloro-1'-(4-methyl-3-nitrobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one Traditional Name: 5-chloro-1'-(4-methyl-3-nitro-benzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)NC4=C(C(=CC=C4)Cl)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)NC4=C(C(=CC=C4)Cl)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O4/c1-12-5-6-13(11-16(12)25(28)29)19(27)24-9-7-20(8-10-24)22-15-4-2-3-14(21)17(15)18(26)23-20/h2-6,11,22H,7-10H2,1H3,(H,23,26)