ethyl 4-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20ClN3O7 MolecularWeight: 425.8203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O7/c1-2-28-18(25)21-9-7-20(8-10-21)16(23)12-29-17(24)6-4-13-3-5-14(19)15(11-13)22(26)27/h3-6,11H,2,7-10,12H2,1H3/b6-4+