4-cyano-N,N-diethyl-2-[5-nitro-4-(3-nitrophenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-benzamide

Systemtic Name: 4-cyano-N,N-diethyl-2-[5-nitro-4-(3-nitrophenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-benzamide Openeye Name: 2-[4-(benzylamino)-5-nitro-6-(3-nitrophenoxy)pyrimidin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide CAS Name: 4-cyano-N,N-diethyl-2-[[5-nitro-4-(3-nitrophenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]benzamide IUPAC Name: 2-[4-(benzylamino)-5-nitro-6-(3-nitrophenoxy)pyrimidin-2-yl]oxy-4-cyano-N,N-diethylbenzamide Traditional Name: 2-[4-(benzylamino)-5-nitro-6-(3-nitrophenoxy)pyrimidin-2-yl]oxy-4-cyano-N,N-diethyl-benzamide Formula: C29H25N7O7 MolecularWeight: 583.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C29H25N7O7/c1-3-34(4-2)28(37)23-14-13-20(17-30)15-24(23)43-29-32-26(31-18-19-9-6-5-7-10-19)25(36(40)41)27(33-29)42-22-12-8-11-21(16-22)35(38)39/h5-16H,3-4,18H2,1-2H3,(H,31,32,33)