(4S)-3-ethanoyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinazoline-2,5-dione

Systemtic Name: (4S)-3-ethanoyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinazoline-2,5-dione Openeye Name: (4S)-3-acetyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinazoline-2,5-dione CAS Name: (4S)-3-acetyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinazoline-2,5-dione IUPAC Name: (4S)-3-acetyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinazoline-2,5-dione Traditional Name: (4S)-3-acetyl-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-1H-quinazoline-2,5-quinone Formula: C16H15N3O5 MolecularWeight: 329.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=C(CCCC2=O)NC1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H](C2=C(CCCC2=O)NC1=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-9(20)18-15(10-4-2-5-11(8-10)19(23)24)14-12(17-16(18)22)6-3-7-13(14)21/h2,4-5,8,15H,3,6-7H2,1H3,(H,17,22)/t15-/m0/s1