[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2-methyl-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15BrN2O7 MolecularWeight: 451.2249

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN2O7/c1-10-17(28-15-5-3-2-4-14(15)27-10)18(23)26-9-16(22)20-13-7-6-11(21(24)25)8-12(13)19/h2-8,10,17H,9H2,1H3,(H,20,22)