cyclohexyl 4-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: cyclohexyl 4-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: cyclohexyl 4-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]amino]benzoic acid cyclohexyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O5/c23-19-12-6-15(14-20(19)25(28)29)7-13-21(26)24-17-10-8-16(9-11-17)22(27)30-18-4-2-1-3-5-18/h6-14,18H,1-5H2,(H,24,26)/b13-7+