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

Systemtic Name: N-[4-[4-[(2,4-dinitrophenyl)carbonylamino]-3-methoxy-phenyl]-2-methoxy-phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxy-phenyl]-2-methoxy-phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[4-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxy-phenyl]-2-methoxy-phenyl]-2,4-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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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