[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C19H18BrN3O6 MolecularWeight: 464.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H18BrN3O6/c20-13-2-1-3-14(10-13)21-18(24)12-29-19(25)16-11-15(23(26)27)4-5-17(16)22-6-8-28-9-7-22/h1-5,10-11H,6-9,12H2,(H,21,24)