2-[4-(3-methoxyphenyl)-2-nitro-phenyl]propanedioate

Systemtic Name: 2-[4-(3-methoxyphenyl)-2-nitro-phenyl]propanedioate Openeye Name: 2-[4-(3-methoxyphenyl)-2-nitro-phenyl]propanedioate CAS Name: 2-[4-(3-methoxyphenyl)-2-nitrophenyl]propanedioate IUPAC Name: 2-[4-(3-methoxyphenyl)-2-nitrophenyl]propanedioate Traditional Name: 2-[4-(3-methoxyphenyl)-2-nitro-phenyl]malonate Formula: C16H11NO7-2 MolecularWeight: 329.26104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=C(C=C2)C(C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=C(C=C2)C(C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c1-24-11-4-2-3-9(7-11)10-5-6-12(13(8-10)17(22)23)14(15(18)19)16(20)21/h2-8,14H,1H3,(H,18,19)(H,20,21)/p-2