N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H14Cl2N4O3S MolecularWeight: 437.29976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC(=C4Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14Cl2N4O3S/c19-11-4-6-14-16(15(11)20)21-18(28-14)22-17(25)10-3-5-12(13(9-10)24(26)27)23-7-1-2-8-23/h3-6,9H,1-2,7-8H2,(H,21,22,25)