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

Systemtic Name: 4-[(2S)-3-[(2S)-butan-2-yl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(2S)-3-[(1S)-1-methylpropyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-6-nitro-phenolate CAS Name: 4-[(2S)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(2S)-3-[(2S)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(2S)-4-keto-3-[(1S)-1-methylpropyl]-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C19H20N3O5- MolecularWeight: 370.3792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-4-11(2)21-18(20-14-8-6-5-7-13(14)19(21)24)12-9-15(22(25)26)17(23)16(10-12)27-3/h5-11,18,20,23H,4H2,1-3H3/p-1/t11-,18-/m0/s1