5-nitro-N-[2-[(5-nitro-2-pentoxy-phenyl)carbonylamino]phenyl]-2-pentoxy-benzamide hydrate

Systemtic Name: 5-nitro-N-[2-[(5-nitro-2-pentoxy-phenyl)carbonylamino]phenyl]-2-pentoxy-benzamide hydrate Openeye Name: 5-nitro-N-[2-[(5-nitro-2-pentoxy-benzoyl)amino]phenyl]-2-pentoxy-benzamide hydrate CAS Name: 5-nitro-N-[2-[[(5-nitro-2-pentoxyphenyl)-oxomethyl]amino]phenyl]-2-pentoxybenzamide hydrate IUPAC Name: 5-nitro-N-[2-[(5-nitro-2-pentoxybenzoyl)amino]phenyl]-2-pentoxybenzamide hydrate Traditional Name: 2-amoxy-N-[2-[(2-amoxy-5-nitro-benzoyl)amino]phenyl]-5-nitro-benzamide hydrate Formula: C30H36N4O9 MolecularWeight: 596.62824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCCC.O

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCCCC.O

InChI

InChI=1S/C30H34N4O8.H2O/c1-3-5-9-17-41-27-15-13-21(33(37)38)19-23(27)29(35)31-25-11-7-8-12-26(25)32-30(36)24-20-22(34(39)40)14-16-28(24)42-18-10-6-4-2;/h7-8,11-16,19-20H,3-6,9-10,17-18H2,1-2H3,(H,31,35)(H,32,36);1H2