(3-methyl-1-benzothiophen-2-yl)methyl 4-nitrobenzoate

Systemtic Name: (3-methyl-1-benzothiophen-2-yl)methyl 4-nitrobenzoate Openeye Name: (3-methylbenzothiophen-2-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-methyl-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-methyl-1-benzothiophen-2-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3-methylbenzothiophen-2-yl)methyl ester Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO4S/c1-11-14-4-2-3-5-15(14)23-16(11)10-22-17(19)12-6-8-13(9-7-12)18(20)21/h2-9H,10H2,1H3