6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-chloro-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(1,3-benzothiazol-2-yl)ethylamino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O3S/c17-11-7-10(16(21)13(8-11)20(22)23)9-18-6-5-15-19-12-3-1-2-4-14(12)24-15/h1-4,7-9,18H,5-6H2