2-[(2S)-3-[(2S)-butan-2-yl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[(2S)-3-[(2S)-butan-2-yl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-4-chloranyl-6-nitro-phenolate Openeye Name: 4-chloro-2-[(2S)-3-[(1S)-1-methylpropyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate CAS Name: 2-[(2S)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[(2S)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-4-chloro-6-nitrophenolate Traditional Name: 4-chloro-2-[(2S)-4-keto-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate Formula: C18H17ClN3O4- MolecularWeight: 374.79828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N1[C@H](NC2=CC=CC=C2C1=O)C3=CC(=CC(=C3[O-])[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/p-1/t10-,17-/m0/s1