N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-nitroanilino)butanamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-nitroanilino)butanamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-nitroanilino)butanamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-nitroanilino)butyramide Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Cl)NC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O5/c19-14-10-16-17(27-9-8-26-16)11-15(14)21-18(23)2-1-7-20-12-3-5-13(6-4-12)22(24)25/h3-6,10-11,20H,1-2,7-9H2,(H,21,23)