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

Systemtic Name: ethyl 2-[6-nitro-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H14N4O7S MolecularWeight: 430.39136

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O7S/c1-2-29-16(23)10-20-14-8-7-11(21(25)26)9-15(14)30-18(20)19-17(24)12-5-3-4-6-13(12)22(27)28/h3-9H,2,10H2,1H3