methyl 2-[2-(4-nitrophenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-nitrophenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-nitrobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-nitrophenyl)-oxomethyl]imino-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-nitrobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-nitrobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetic acid methyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-29-18(25)12-23-17-11-8-13-4-2-3-5-16(13)19(17)30-21(23)22-20(26)14-6-9-15(10-7-14)24(27)28/h2-11H,12H2,1H3