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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=O)CCC=C2NC1=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@@H]([C@H]2C(=O)CCC=C2NC1=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/h2,4-6,8,14-15H,3,7H2,1H3,(H,17,22)/t14-,15-/m1/s1