4-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzyl]-1,4-benzoxazin-3-one Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C26H24N4O5/c31-25-18-35-24-7-2-1-6-23(24)29(25)17-19-4-3-5-20(16-19)26(32)28-14-12-27(13-15-28)21-8-10-22(11-9-21)30(33)34/h1-11,16H,12-15,17-18H2