[3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C18H11ClN2O6 MolecularWeight: 386.74274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)/C#N

InChI

InChI=1S/C18H11ClN2O6/c1-26-17(22)12(10-20)7-11-3-2-4-14(8-11)27-18(23)15-9-13(21(24)25)5-6-16(15)19/h2-9H,1H3/b12-7+