(2-azanylpyridin-3-yl) N,N-dimethylcarbamate; 2-(dihexylamino)-1,3-dioxepine-4,7-dione

Systemtic Name: (2-azanylpyridin-3-yl) N,N-dimethylcarbamate; 2-(dihexylamino)-1,3-dioxepine-4,7-dione Openeye Name: (2-amino-3-pyridyl) N,N-dimethylcarbamate; 2-(dihexylamino)-1,3-dioxepine-4,7-dione CAS Name: 2-(dihexylamino)-1,3-dioxepin-4,7-dione; N,N-dimethylcarbamic acid (2-amino-3-pyridinyl) ester IUPAC Name: (2-aminopyridin-3-yl) N,N-dimethylcarbamate; 2-(dihexylamino)-1,3-dioxepine-4,7-dione Traditional Name: 2-(dihexylamino)-1,3-dioxepin-4,7-quinone; N,N-dimethylcarbamic acid (2-amino-3-pyridyl) ester Formula: C25H40N4O6 MolecularWeight: 492.6083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1OC(=O)C=CC(=O)O1.CN(C)C(=O)OC1=C(N=CC=C1)N

Isomeric SMILES

CCCCCCN(CCCCCC)C1OC(=O)C=CC(=O)O1.CN(C)C(=O)OC1=C(N=CC=C1)N

InChI

InChI=1S/C17H29NO4.C8H11N3O2/c1-3-5-7-9-13-18(14-10-8-6-4-2)17-21-15(19)11-12-16(20)22-17;1-11(2)8(12)13-6-4-3-5-10-7(6)9/h11-12,17H,3-10,13-14H2,1-2H3;3-5H,1-2H3,(H2,9,10)