(E)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)acrylamide Formula: C20H18N4O6S MolecularWeight: 442.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S/c1-2-30-11-10-22-17-13-16(24(28)29)7-8-18(17)31-20(22)21-19(25)9-6-14-4-3-5-15(12-14)23(26)27/h3-9,12-13H,2,10-11H2,1H3/b9-6+,21-20?