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

Systemtic Name: 4-[(2R)-3-[(2R)-butan-2-yl]-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Openeye Name: 4-[(2R)-3-[(1R)-1-methylpropyl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate CAS Name: 4-[(2R)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate IUPAC Name: 4-[(2R)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]-2-nitrophenolate Traditional Name: 4-[(2R)-4-keto-3-[(1R)-1-methylpropyl]-1,2-dihydroquinazolin-2-yl]-2-nitro-phenolate Formula: C18H18N3O4- MolecularWeight: 340.35322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-3-11(2)20-17(12-8-9-16(22)15(10-12)21(24)25)19-14-7-5-4-6-13(14)18(20)23/h4-11,17,19,22H,3H2,1-2H3/p-1/t11-,17-/m1/s1