[4-methyl-2-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-methyl-2-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-methyl-2-[(3-oxobenzothiophen-2-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-methyl-2-[(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] ester IUPAC Name: [4-methyl-2-[(3-oxo-1-benzothiophen-2-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(3-ketobenzothiophen-2-ylidene)methyl]-4-methyl-phenyl] ester Formula: C23H15NO5S MolecularWeight: 417.4339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C=C3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C23H15NO5S/c1-14-9-10-19(29-23(26)15-5-4-6-17(12-15)24(27)28)16(11-14)13-21-22(25)18-7-2-3-8-20(18)30-21/h2-13H,1H3