[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate

Systemtic Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Openeye Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(E)-3-(4-chlorophenyl)acryloyl]phenyl] ester Formula: C22H14ClNO5 MolecularWeight: 407.80326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C=CC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H14ClNO5/c23-17-11-8-15(9-12-17)10-13-20(25)19-6-1-2-7-21(19)29-22(26)16-4-3-5-18(14-16)24(27)28/h1-14H/b13-10+