[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-isopropoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]acetic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate Traditional Name: 2-[(4-isopropoxybenzoyl)amino]acetic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20BrN3O7 MolecularWeight: 494.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C20H20BrN3O7/c1-12(2)31-15-6-3-13(4-7-15)20(27)22-10-19(26)30-11-18(25)23-17-8-5-14(24(28)29)9-16(17)21/h3-9,12H,10-11H2,1-2H3,(H,22,27)(H,23,25)