3-(4-methyl-3-nitro-phenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione Openeye Name: 3-(4-methyl-3-nitro-phenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione CAS Name: 3-(4-methyl-3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione IUPAC Name: 3-(4-methyl-3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione Traditional Name: 3-(4-methyl-3-nitro-phenyl)-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-quinone Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3CCCCC3NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3CCCCC3NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c1-9-6-7-10(8-13(9)18(21)22)17-14(19)11-4-2-3-5-12(11)16-15(17)20/h6-8,11-12H,2-5H2,1H3,(H,16,20)