[3-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)phenyl] 2-nitrobenzoate

Systemtic Name: [3-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)phenyl] 2-nitrobenzoate Openeye Name: [3-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)phenyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [3-(2-cyano-3-methoxy-3-oxoprop-1-enyl)phenyl] ester IUPAC Name: [3-(2-cyano-3-methoxy-3-oxoprop-1-enyl)phenyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [3-(2-cyano-3-keto-3-methoxy-prop-1-enyl)phenyl] ester Formula: C18H12N2O6 MolecularWeight: 352.29768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O6/c1-25-17(21)13(11-19)9-12-5-4-6-14(10-12)26-18(22)15-7-2-3-8-16(15)20(23)24/h2-10H,1H3