2-(2-chloroethyl)-4-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenolate

Systemtic Name: 2-(2-chloroethyl)-4-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]phenolate Openeye Name: 2-(2-chloroethyl)-4-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]phenolate CAS Name: 2-(2-chloroethyl)-4-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]phenolate IUPAC Name: 2-(2-chloroethyl)-4-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]phenolate Traditional Name: 2-(2-chloroethyl)-4-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]phenolate Formula: C17H13ClNO5- MolecularWeight: 346.74182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)C2=CC(=C(C=C2)[O-])CCCl)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO5/c18-8-7-13-10-12(3-6-16(13)21)15(20)4-1-11-2-5-17(22)14(9-11)19(23)24/h1-6,9-10,21-22H,7-8H2/p-1/b4-1+