methyl 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoate

Systemtic Name: methyl 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoate Openeye Name: methyl 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoate CAS Name: 2-[[(E)-3-(3,4-dichlorophenyl)-1-oxobut-2-enyl]amino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitrobenzoate Traditional Name: 2-[[(E)-3-(3,4-dichlorophenyl)but-2-enoyl]amino]-4-nitro-benzoic acid methyl ester Formula: C18H14Cl2N2O5 MolecularWeight: 409.22016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC)/C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O5/c1-10(11-3-6-14(19)15(20)8-11)7-17(23)21-16-9-12(22(25)26)4-5-13(16)18(24)27-2/h3-9H,1-2H3,(H,21,23)/b10-7+