2-[4-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-cyano-3-(3-nitroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-cyano-3-keto-3-(3-nitroanilino)prop-1-enyl]-2-ethoxy-phenoxy]acetic acid Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)O

InChI

InChI=1S/C20H17N3O7/c1-2-29-18-9-13(6-7-17(18)30-12-19(24)25)8-14(11-21)20(26)22-15-4-3-5-16(10-15)23(27)28/h3-10H,2,12H2,1H3,(H,22,26)(H,24,25)/b14-8+