(3S)-N-[2-[(4-nitrophenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(4-nitrophenyl)amino]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-(4-nitroanilino)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c21-17(16-11-24-14-3-1-2-4-15(14)25-16)19-10-9-18-12-5-7-13(8-6-12)20(22)23/h1-8,16,18H,9-11H2,(H,19,21)/t16-/m0/s1