5-butyl-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Systemtic Name: 5-butyl-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Openeye Name: 5-butyl-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione CAS Name: 5-butyl-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione IUPAC Name: 5-butyl-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Traditional Name: 5-butyl-3-(3-nitrophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-2-3-12-22-20(25)17-18(14-8-7-11-16(13-14)24(27)28)23(29-19(17)21(22)26)15-9-5-4-6-10-15/h4-11,13,17-19H,2-3,12H2,1H3