4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzaldehyde CAS Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-nitro-benzaldehyde Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H15N3O3S/c22-11-12-7-8-14(16(10-12)21(23)24)20-9-3-5-15(20)18-19-13-4-1-2-6-17(13)25-18/h1-2,4,6-8,10-11,15H,3,5,9H2/t15-/m1/s1