[4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C22H14BrNO5 MolecularWeight: 452.25426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H14BrNO5/c23-18-9-7-16(8-10-18)21(25)13-6-15-4-11-20(12-5-15)29-22(26)17-2-1-3-19(14-17)24(27)28/h1-14H/b13-6+