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

Systemtic Name: (3S)-N-[(E)-(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(E)-(4-nitrophenyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(E)-(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(E)-(4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(E)-(4-nitrobenzylidene)amino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5/c20-16(15-10-23-13-3-1-2-4-14(13)24-15)18-17-9-11-5-7-12(8-6-11)19(21)22/h1-9,15H,10H2,(H,18,20)/b17-9+/t15-/m0/s1