N-[2-[(4-chloranyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-[(4-chloranyl-2-nitro-phenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-chloro-2-nitro-anilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-chloro-2-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-chloro-2-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-chloro-2-nitro-anilino)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NCCNC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NCCNC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5/c18-12-2-3-13(14(10-12)21(23)24)19-5-6-20-17(22)11-1-4-15-16(9-11)26-8-7-25-15/h1-4,9-10,19H,5-8H2,(H,20,22)