[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O7/c1-28-16-8-7-14(11-15(16)22(26)27)19(25)20-12-18(24)29-13-17(23)21-9-5-3-2-4-6-10-21/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,20,25)