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

Systemtic Name: 2-methoxy-6-nitro-4-[(2S)-4-oxidanylidene-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate CAS Name: 2-methoxy-6-nitro-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(2S)-4-oxo-3-phenethyl-1,2-dihydroquinazolin-2-yl]phenolate Traditional Name: 4-[(2S)-4-keto-3-phenethyl-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitro-phenolate Formula: C23H20N3O5- MolecularWeight: 418.422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-31-20-14-16(13-19(21(20)27)26(29)30)22-24-18-10-6-5-9-17(18)23(28)25(22)12-11-15-7-3-2-4-8-15/h2-10,13-14,22,24,27H,11-12H2,1H3/p-1/t22-/m0/s1