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

Systemtic Name: methyl 3-[2-[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H17ClN2O7 MolecularWeight: 432.81118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O7/c1-12-3-6-14(20(26)29-2)10-16(12)22-18(24)11-30-19(25)8-5-13-4-7-15(21)17(9-13)23(27)28/h3-10H,11H2,1-2H3,(H,22,24)/b8-5+