[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2,4-dinitrophenyl)acetate CAS Name: 2-(2,4-dinitrophenyl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2,4-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitrophenyl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c20-15(17-7-3-1-2-4-8-17)11-26-16(21)9-12-5-6-13(18(22)23)10-14(12)19(24)25/h5-6,10H,1-4,7-9,11H2