[4-[(E)-2,3-dicyano-3-oxidanyl-prop-1-enyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-2,3-dicyano-3-oxidanyl-prop-1-enyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-2,3-dicyano-3-hydroxy-prop-1-enyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-2,3-dicyano-3-hydroxyprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2,3-dicyano-3-hydroxyprop-1-enyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-2,3-dicyano-3-hydroxy-prop-1-enyl]phenyl] ester Formula: C18H11N3O5 MolecularWeight: 349.29704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N3O5/c19-10-14(17(22)11-20)9-12-1-7-16(8-2-12)26-18(23)13-3-5-15(6-4-13)21(24)25/h1-9,17,22H/b14-9+