[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S2/c1-26-14-6-7-15(16(10-14)21(24)25)20-17(22)11-27-18(23)12-2-4-13(5-3-12)19-28-8-9-29-19/h2-7,10,19H,8-9,11H2,1H3,(H,20,22)