3-nitro-N-[(3-nitrophenyl)methyl]-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide

Systemtic Name: 3-nitro-N-[(3-nitrophenyl)methyl]-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Openeye Name: 3-nitro-N-[(3-nitrophenyl)methyl]-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzamide CAS Name: 3-nitro-N-[(3-nitrophenyl)methyl]-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzamide IUPAC Name: 3-nitro-N-[(3-nitrophenyl)methyl]-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzamide Traditional Name: 4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-N-(3-nitrobenzyl)benzamide Formula: C27H25N5O7 MolecularWeight: 531.5167

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O7/c33-26(28-16-18-4-3-6-22(14-18)31(35)36)19-8-9-24(25(15-19)32(37)38)29-12-10-21(11-13-29)30-23-7-2-1-5-20(23)17-39-27(30)34/h1-9,14-15,21H,10-13,16-17H2,(H,28,33)