(2S)-3-[(2S)-butan-2-yl]-2-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-3-[(2S)-butan-2-yl]-2-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(5-chloro-2-hydroxy-3-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-3-[(2S)-butan-2-yl]-2-(5-chloro-2-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-[(2S)-butan-2-yl]-2-(5-chloro-2-hydroxy-3-nitrophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(5-chloro-2-hydroxy-3-nitro-phenyl)-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-4-one Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(NC2=CC=CC=C2C1=O)C3=CC(=CC(=C3O)[N+](=O)[O-])Cl

Isomeric SMILES

CC[C@H](C)N1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=CC(=C3O)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O4/c1-3-10(2)21-17(20-14-7-5-4-6-12(14)18(21)24)13-8-11(19)9-15(16(13)23)22(25)26/h4-10,17,20,23H,3H2,1-2H3/t10-,17-/m0/s1