3-nitro-N-[5-[(3-nitrophenyl)carbonylamino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-[(3-nitrophenyl)carbonylamino]-3,4-bis(oxidanyl)-1,6-diphenyl-hexan-2-yl]benzamide Openeye Name: N-[1-benzyl-2,3-dihydroxy-4-[(3-nitrobenzoyl)amino]-5-phenyl-pentyl]-3-nitro-benzamide CAS Name: N-[3,4-dihydroxy-5-[[(3-nitrophenyl)-oxomethyl]amino]-1,6-diphenylhexan-2-yl]-3-nitrobenzamide IUPAC Name: N-[3,4-dihydroxy-5-[(3-nitrobenzoyl)amino]-1,6-diphenylhexan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-benzyl-2,3-dihydroxy-4-[(3-nitrobenzoyl)amino]-5-phenyl-pentyl]-3-nitro-benzamide Formula: C32H30N4O8 MolecularWeight: 598.6026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O)O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O)O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H30N4O8/c37-29(27(17-21-9-3-1-4-10-21)33-31(39)23-13-7-15-25(19-23)35(41)42)30(38)28(18-22-11-5-2-6-12-22)34-32(40)24-14-8-16-26(20-24)36(43)44/h1-16,19-20,27-30,37-38H,17-18H2,(H,33,39)(H,34,40)