1-[1-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-2-nitro-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-[4-(2,5-dihydropyrrol-1-ylcarbonyl)-2-nitro-phenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-[4-(2,5-dihydropyrrole-1-carbonyl)-2-nitro-phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-[4-[2,5-dihydropyrrol-1-yl(oxo)methyl]-2-nitrophenyl]-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-[4-(2,5-dihydropyrrole-1-carbonyl)-2-nitrophenyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-[2-nitro-4-(3-pyrroline-1-carbonyl)phenyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CC=CC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CC=CC5)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O5/c29-23(26-11-3-4-12-26)17-7-8-21(22(15-17)28(31)32)25-13-9-19(10-14-25)27-20-6-2-1-5-18(20)16-33-24(27)30/h1-8,15,19H,9-14,16H2