[2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[bis(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[bis(2-methoxyethyl)amino]-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-[bis(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C19H27N3O7 MolecularWeight: 409.43358

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COCCN(CCOC)C(=O)COC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O7/c1-27-11-9-21(10-12-28-2)18(23)14-29-19(24)15-5-6-16(17(13-15)22(25)26)20-7-3-4-8-20/h5-6,13H,3-4,7-12,14H2,1-2H3