N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c1-28-18-11-8-14(12-17(18)24(26)27)20(25)22-15-9-6-13(7-10-15)21-23-16-4-2-3-5-19(16)29-21/h2-12H,1H3,(H,22,25)