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

Systemtic Name: methyl 4-[[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN2O5/c1-21(12-14-3-7-15(8-4-14)19(24)27-2)18(23)10-6-13-5-9-16(20)17(11-13)22(25)26/h3-11H,12H2,1-2H3/b10-6+