2-[4-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]-2-methoxy-phenoxy]acetic acid Formula: C18H14ClNO7 MolecularWeight: 391.75926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO7/c1-26-17-9-12(4-7-16(17)27-10-18(22)23)15(21)6-3-11-2-5-13(19)14(8-11)20(24)25/h2-9H,10H2,1H3,(H,22,23)/b6-3+