4-chloranyl-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C16H13ClN2O5 MolecularWeight: 348.73782

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C16H13ClN2O5/c17-11-6-10(16(20)13(7-11)19(21)22)9-18-12-2-3-14-15(8-12)24-5-1-4-23-14/h2-3,6-9,18H,1,4-5H2