[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6/c1-11(2)18(24)21-14-6-3-12(4-7-14)17(23)10-28-19(25)15-8-5-13(20)9-16(15)22(26)27/h3-9,11H,10H2,1-2H3,(H,21,24)