N-[4-[4-[(3,5-dinitrophenyl)carbonylamino]-3-methoxy-phenyl]-2-methoxy-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-[(3,5-dinitrophenyl)carbonylamino]-3-methoxy-phenyl]-2-methoxy-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methoxy-phenyl]-2-methoxy-phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[4-[(3,5-dinitrobenzoyl)amino]-3-methoxy-phenyl]-2-methoxy-phenyl]-3,5-dinitro-benzamide Formula: C28H20N6O12 MolecularWeight: 632.4914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H20N6O12/c1-45-25-11-15(3-5-23(25)29-27(35)17-7-19(31(37)38)13-20(8-17)32(39)40)16-4-6-24(26(12-16)46-2)30-28(36)18-9-21(33(41)42)14-22(10-18)34(43)44/h3-14H,1-2H3,(H,29,35)(H,30,36)