methyl 3-chloranyl-4-[(E)-2-nitroprop-1-enyl]benzoate

Systemtic Name: methyl 3-chloranyl-4-[(E)-2-nitroprop-1-enyl]benzoate Openeye Name: methyl 3-chloro-4-[(E)-2-nitroprop-1-enyl]benzoate CAS Name: 3-chloro-4-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-[(E)-2-nitroprop-1-enyl]benzoate Traditional Name: 3-chloro-4-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester Formula: C11H10ClNO4 MolecularWeight: 255.6544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClNO4/c1-7(13(15)16)5-8-3-4-9(6-10(8)12)11(14)17-2/h3-6H,1-2H3/b7-5+