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

Systemtic Name: methyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3,5-dinitrobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,5-dinitrobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14N4O8S MolecularWeight: 446.39076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OC

InChI

InChI=1S/C18H14N4O8S/c1-29-13-3-4-14-15(8-13)31-18(20(14)9-16(23)30-2)19-17(24)10-5-11(21(25)26)7-12(6-10)22(27)28/h3-8H,9H2,1-2H3