[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(2-methyl-4-nitro-phenoxy)ethanoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-(2-methyl-4-nitro-phenoxy)ethanoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(2-methyl-4-nitro-phenoxy)acetate CAS Name: 2-(2-methyl-4-nitrophenoxy)acetic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(2-methyl-4-nitrophenoxy)acetate Traditional Name: 2-(2-methyl-4-nitro-phenoxy)acetic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)OC

InChI

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