[2-[ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[ethyl-[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[ethyl-[2-(ethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[ethyl-[2-(ethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C15H18BrN3O6 MolecularWeight: 416.22392

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CN(CC)C(=O)COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H18BrN3O6/c1-3-17-13(20)8-18(4-2)14(21)9-25-15(22)10-5-6-11(16)12(7-10)19(23)24/h5-7H,3-4,8-9H2,1-2H3,(H,17,20)