(3-methyl-4-propan-2-yl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4/c1-10(2)14-6-5-13(8-11(14)3)23-17(20)12-4-7-15(18)16(9-12)19(21)22/h4-10H,1-3H3