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ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name:ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate
Openeye Name:ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate
CAS Name:2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC Name:ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate
Traditional Name:2-[2-(3,5-dinitrobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester
Formula: C18H13N5O9S
MolecularWeight: 475.38892
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C18H13N5O9S/c1-2-32-16(24)9-20-14-4-3-11(21(26)27)8-15(14)33-18(20)19-17(25)10-5-12(22(28)29)7-13(6-10)23(30)31/h3-8H,2,9H2,1H3


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